Showing NP-Card for Odilorhabdin NOSO-95A (NP0017879)
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Version | 1.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-01-06 02:30:54 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:26:42 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0017879 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Odilorhabdin NOSO-95A | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Odilorhabdin NOSO-95A is found in Xenorhabdus nematophila. It was first documented in 2018 (PMID: 29625040). Based on a literature review very few articles have been published on Odilorhabdin NOSO-95A. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0017879 (Odilorhabdin NOSO-95A)Mrv1652307042107383D 192193 0 0 0 0 999 V2000 -16.0722 0.6395 2.4921 N 0 0 1 0 0 0 0 0 0 0 0 0 -15.1935 0.6682 1.2888 C 0 0 1 0 0 0 0 0 0 0 0 0 -15.5168 -0.5486 0.5091 C 0 0 2 0 0 0 0 0 0 0 0 0 -14.8411 -0.7869 -0.7888 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.3615 -0.8803 -0.7876 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.7365 0.3815 -0.4251 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.3315 0.4153 -0.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6845 -0.6581 -0.5868 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5303 1.5920 0.0223 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.5812 2.7128 -0.9156 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.8910 3.3716 -1.1218 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.4430 4.0564 0.0969 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.6619 3.2769 1.1995 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.7477 4.7430 -0.3538 C 0 0 1 0 0 0 0 0 0 0 0 0 -14.2339 5.5809 0.7048 N 0 0 2 0 0 0 0 0 0 0 0 0 -9.1042 1.1548 0.1659 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7420 0.5299 1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6015 0.3166 2.2328 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3036 0.1155 1.6212 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0844 -0.4804 2.7399 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8142 -0.9758 3.2620 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7588 -2.4956 3.2923 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8256 -3.0251 4.1298 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5278 -4.0421 3.7951 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2887 -4.7092 2.5669 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.5593 -4.4946 4.6549 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4041 0.3908 0.6157 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1697 -0.1377 0.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6165 -1.0854 0.7335 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4977 0.5650 -0.9833 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4085 0.2661 -2.1737 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4625 -1.2410 -2.3596 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.3255 -1.6284 -3.5174 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.6405 -1.1955 -3.3279 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3181 -3.1316 -3.7257 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9654 -3.5775 -3.9150 N 0 0 1 0 0 0 0 0 0 0 0 0 -3.1772 0.2945 -1.2316 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2629 -0.6850 -0.8978 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5476 -1.6796 -0.1847 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 -0.5971 -1.3909 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7079 -0.7521 -2.8796 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4049 0.2170 -3.7191 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8953 1.4368 -4.1038 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7826 2.0325 -4.9196 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8294 1.2091 -5.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6179 0.0938 -4.3210 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0253 -1.6873 -0.8175 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1592 -1.4385 -0.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5035 -0.2516 0.0899 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9978 -2.5390 0.4571 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4649 -3.0058 1.7826 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5298 -2.7084 2.7979 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7977 -2.7235 1.9309 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3656 -2.1212 0.6906 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0947 -1.2862 -0.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4788 -0.8284 -1.2318 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5157 -0.8547 -0.0665 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2647 -1.5028 -1.1966 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2992 -2.9850 -1.1777 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1331 -3.5294 -0.0839 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8133 -3.2240 1.2519 N 0 0 1 0 0 0 0 0 0 0 0 0 5.5738 0.5850 -0.2292 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3016 1.3587 -1.3626 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9624 0.8443 -2.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4138 2.8753 -1.2605 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9265 3.2711 0.0424 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2455 3.0164 0.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0031 2.4446 -0.4305 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 3.3424 1.7603 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3032 3.1477 1.5526 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9228 1.9083 1.3403 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1762 0.8948 1.3176 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3671 1.7448 1.1432 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7706 0.8570 0.1101 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2681 -0.4566 0.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3836 -0.9749 1.3239 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6445 -1.2120 -1.0084 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5774 -0.3526 -2.2055 N 0 0 2 0 0 0 0 0 0 0 0 0 13.8912 -2.0122 -0.9660 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8761 -3.0934 0.0495 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1746 -3.9023 0.0229 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3960 -4.5042 -1.3511 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3084 -5.3579 -1.7681 N 0 0 2 0 0 0 0 0 0 0 0 0 12.1320 3.0142 1.2244 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5093 2.7398 1.5074 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1040 3.8634 -0.0264 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8585 5.0739 0.2432 N 0 0 1 0 0 0 0 0 0 0 0 0 7.5184 4.7089 2.1599 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1558 4.8222 2.4006 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2059 5.1871 3.4263 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7770 6.5672 3.6161 N 0 0 1 0 0 0 0 0 0 0 0 0 -15.5388 1.1377 3.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9355 1.2024 2.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3946 1.5761 0.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1446 0.6646 1.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6499 -0.5759 0.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3220 -1.4296 1.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2502 -1.7553 -1.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1456 0.0475 -1.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0400 -1.7006 -0.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0032 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1 0 0 0 0 3 96 1 0 0 0 0 3 97 1 0 0 0 0 4 98 1 0 0 0 0 4 99 1 0 0 0 0 5100 1 0 0 0 0 5101 1 0 0 0 0 6102 1 0 0 0 0 9103 1 1 0 0 0 10104 1 0 0 0 0 10105 1 0 0 0 0 11106 1 0 0 0 0 11107 1 0 0 0 0 12108 1 1 0 0 0 13109 1 0 0 0 0 14110 1 0 0 0 0 14111 1 0 0 0 0 15112 1 0 0 0 0 15113 1 0 0 0 0 16114 1 0 0 0 0 20115 1 0 0 0 0 21116 1 0 0 0 0 21117 1 0 0 0 0 22118 1 0 0 0 0 22119 1 0 0 0 0 25120 1 0 0 0 0 25121 1 0 0 0 0 26122 1 0 0 0 0 26123 1 0 0 0 0 27124 1 0 0 0 0 30125 1 1 0 0 0 31126 1 0 0 0 0 31127 1 0 0 0 0 32128 1 0 0 0 0 32129 1 0 0 0 0 33130 1 6 0 0 0 34131 1 0 0 0 0 35132 1 0 0 0 0 35133 1 0 0 0 0 36134 1 0 0 0 0 36135 1 0 0 0 0 37136 1 0 0 0 0 40137 1 1 0 0 0 41138 1 0 0 0 0 41139 1 0 0 0 0 43140 1 0 0 0 0 45141 1 0 0 0 0 46142 1 0 0 0 0 47143 1 0 0 0 0 50144 1 6 0 0 0 51145 1 0 0 0 0 51146 1 0 0 0 0 52147 1 0 0 0 0 52148 1 0 0 0 0 53149 1 0 0 0 0 53150 1 0 0 0 0 57151 1 1 0 0 0 58152 1 0 0 0 0 58153 1 0 0 0 0 59154 1 0 0 0 0 59155 1 0 0 0 0 60156 1 0 0 0 0 60157 1 0 0 0 0 61158 1 0 0 0 0 61159 1 0 0 0 0 62160 1 0 0 0 0 65161 1 0 0 0 0 65162 1 0 0 0 0 66163 1 0 0 0 0 69164 1 1 0 0 0 70165 1 0 0 0 0 73166 1 1 0 0 0 74167 1 0 0 0 0 77168 1 6 0 0 0 78169 1 0 0 0 0 78170 1 0 0 0 0 79171 1 0 0 0 0 79172 1 0 0 0 0 80173 1 0 0 0 0 80174 1 0 0 0 0 81175 1 0 0 0 0 81176 1 0 0 0 0 82177 1 0 0 0 0 82178 1 0 0 0 0 83179 1 0 0 0 0 83180 1 0 0 0 0 84181 1 1 0 0 0 85182 1 0 0 0 0 86183 1 0 0 0 0 86184 1 0 0 0 0 87185 1 0 0 0 0 87186 1 0 0 0 0 88187 1 6 0 0 0 89188 1 0 0 0 0 90189 1 0 0 0 0 90190 1 0 0 0 0 91191 1 0 0 0 0 91192 1 0 0 0 0 M END 3D MOL for NP0017879 (Odilorhabdin NOSO-95A)RDKit 3D 192193 0 0 0 0 0 0 0 0999 V2000 -16.0722 0.6395 2.4921 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.1935 0.6682 1.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5168 -0.5486 0.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8411 -0.7869 -0.7888 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3615 -0.8803 -0.7876 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7365 0.3815 -0.4251 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.3315 0.4153 -0.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6845 -0.6581 -0.5868 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5303 1.5920 0.0223 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.5812 2.7128 -0.9156 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8910 3.3716 -1.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4430 4.0564 0.0969 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.6619 3.2769 1.1995 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.7477 4.7430 -0.3538 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2339 5.5809 0.7048 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.1042 1.1548 0.1659 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7420 0.5299 1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6015 0.3166 2.2328 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3036 0.1155 1.6212 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0844 -0.4804 2.7399 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8142 -0.9758 3.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7588 -2.4956 3.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8256 -3.0251 4.1298 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5278 -4.0421 3.7951 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2887 -4.7092 2.5669 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.5593 -4.4946 4.6549 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4041 0.3908 0.6157 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1697 -0.1377 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NOSO-95A)Mrv1652307042107383D 192193 0 0 0 0 999 V2000 -16.0722 0.6395 2.4921 N 0 0 1 0 0 0 0 0 0 0 0 0 -15.1935 0.6682 1.2888 C 0 0 1 0 0 0 0 0 0 0 0 0 -15.5168 -0.5486 0.5091 C 0 0 2 0 0 0 0 0 0 0 0 0 -14.8411 -0.7869 -0.7888 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.3615 -0.8803 -0.7876 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.7365 0.3815 -0.4251 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.3315 0.4153 -0.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6845 -0.6581 -0.5868 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5303 1.5920 0.0223 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.5812 2.7128 -0.9156 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.8910 3.3716 -1.1218 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.4430 4.0564 0.0969 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.6619 3.2769 1.1995 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.7477 4.7430 -0.3538 C 0 0 1 0 0 0 0 0 0 0 0 0 -14.2339 5.5809 0.7048 N 0 0 2 0 0 0 0 0 0 0 0 0 -9.1042 1.1548 0.1659 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7420 0.5299 1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6015 0.3166 2.2328 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3036 0.1155 1.6212 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0844 -0.4804 2.7399 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8142 -0.9758 3.2620 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7588 -2.4956 3.2923 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8256 -3.0251 4.1298 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5278 -4.0421 3.7951 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2887 -4.7092 2.5669 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.5593 -4.4946 4.6549 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4041 0.3908 0.6157 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1697 -0.1377 0.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6165 -1.0854 0.7335 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4977 0.5650 -0.9833 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4085 0.2661 -2.1737 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4625 -1.2410 -2.3596 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.3255 -1.6284 -3.5174 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.6405 -1.1955 -3.3279 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3181 -3.1316 -3.7257 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9654 -3.5775 -3.9150 N 0 0 1 0 0 0 0 0 0 0 0 0 -3.1772 0.2945 -1.2316 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2629 -0.6850 -0.8978 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5476 -1.6796 -0.1847 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 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0 0 0 0 0 0 0 0 0 6.8133 -3.2240 1.2519 N 0 0 1 0 0 0 0 0 0 0 0 0 5.5738 0.5850 -0.2292 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3016 1.3587 -1.3626 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9624 0.8443 -2.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4138 2.8753 -1.2605 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9265 3.2711 0.0424 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2455 3.0164 0.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0031 2.4446 -0.4305 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 3.3424 1.7603 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3032 3.1477 1.5526 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9228 1.9083 1.3403 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1762 0.8948 1.3176 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3671 1.7448 1.1432 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7706 0.8570 0.1101 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2681 -0.4566 0.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3836 -0.9749 1.3239 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6445 -1.2120 -1.0084 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5774 -0.3526 -2.2055 N 0 0 2 0 0 0 0 0 0 0 0 0 13.8912 -2.0122 -0.9660 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8761 -3.0934 0.0495 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1746 -3.9023 0.0229 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3960 -4.5042 -1.3511 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3084 -5.3579 -1.7681 N 0 0 2 0 0 0 0 0 0 0 0 0 12.1320 3.0142 1.2244 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5093 2.7398 1.5074 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1040 3.8634 -0.0264 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8585 5.0739 0.2432 N 0 0 1 0 0 0 0 0 0 0 0 0 7.5184 4.7089 2.1599 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1558 4.8222 2.4006 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2059 5.1871 3.4263 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7770 6.5672 3.6161 N 0 0 1 0 0 0 0 0 0 0 0 0 -15.5388 1.1377 3.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9355 1.2024 2.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3946 1.5761 0.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1446 0.6646 1.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6499 -0.5759 0.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3220 -1.4296 1.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2502 -1.7553 -1.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1456 0.0475 -1.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0400 -1.7006 -0.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0032 -1.1242 -1.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2824 1.2291 -0.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8226 1.9081 1.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8727 3.5281 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1705 2.4278 -1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7174 4.2581 -1.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6207 2.7729 -1.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7109 4.8830 0.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5084 3.7588 2.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5161 5.3504 -1.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5017 3.9683 -0.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4025 5.0106 1.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1062 6.0417 0.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5039 1.3562 -0.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9909 -0.6453 3.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8645 -0.7193 4.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8924 -0.5223 2.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7764 -2.7799 3.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8955 -2.9406 2.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5088 -5.3698 2.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8797 -4.5623 1.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0808 -5.3783 4.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8333 -3.9777 5.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6793 1.2586 -0.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6126 1.6518 -0.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3864 0.7095 -1.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9915 0.7546 -3.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4557 -1.6626 -2.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9664 -1.6215 -1.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9801 -1.1234 -4.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2115 -1.8605 -3.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7744 -3.5826 -2.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9281 -3.3629 -4.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3553 -2.7781 -4.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6175 -4.1009 -3.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7012 1.1024 -1.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4348 0.3827 -1.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3823 -0.7468 -3.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0405 -1.7884 -3.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0601 1.8866 -3.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7317 1.3785 -5.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2002 -0.7425 -4.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3477 -2.6480 -0.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9591 -3.3500 -0.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3054 -4.1144 1.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4987 -2.5013 2.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6465 -3.4686 3.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3587 -1.6971 3.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5561 -2.0810 2.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 -3.7723 1.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9101 -1.1784 0.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3486 -1.1587 -1.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8434 -1.1609 -2.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2553 -3.4018 -1.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8014 -3.2986 -2.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2334 -3.2411 -0.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2214 -4.6710 -0.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5101 -4.0561 1.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5659 -2.6780 1.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8650 1.0802 0.6939 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3884 3.2574 -1.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0381 3.2798 -2.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2638 3.7427 0.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4759 2.5110 2.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8626 4.0235 1.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6854 1.1771 2.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6792 1.2534 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8150 -1.9832 -1.2452 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1711 0.4739 -2.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5981 -0.0552 -2.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7947 -1.3483 -0.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0636 -2.5054 -1.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7566 -2.6922 1.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0422 -3.8195 -0.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0076 -3.2738 0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0605 -4.7427 0.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3096 -5.1677 -1.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6677 -3.7167 -2.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6428 -6.2869 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9044 -4.8925 -2.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7787 3.6216 2.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4757 2.3276 2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6066 3.3636 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1057 4.1390 -0.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8977 4.8728 0.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6939 5.8151 -0.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8140 5.3977 1.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0146 4.3976 3.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8810 4.5765 4.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3179 5.2166 3.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9599 6.9091 4.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3624 7.1617 2.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 9 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 3 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 19 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 30 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 40 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 55 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 57 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 2 0 0 0 0 63 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 2 0 0 0 0 67 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 2 0 0 0 0 71 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 2 0 0 0 0 75 77 1 0 0 0 0 77 78 1 0 0 0 0 77 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 73 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 1 0 0 0 0 86 87 1 0 0 0 0 69 88 1 0 0 0 0 88 89 1 0 0 0 0 88 90 1 0 0 0 0 90 91 1 0 0 0 0 46 42 1 0 0 0 0 54 50 1 0 0 0 0 1 92 1 0 0 0 0 1 93 1 0 0 0 0 2 94 1 0 0 0 0 2 95 1 0 0 0 0 3 96 1 0 0 0 0 3 97 1 0 0 0 0 4 98 1 0 0 0 0 4 99 1 0 0 0 0 5100 1 0 0 0 0 5101 1 0 0 0 0 6102 1 0 0 0 0 9103 1 1 0 0 0 10104 1 0 0 0 0 10105 1 0 0 0 0 11106 1 0 0 0 0 11107 1 0 0 0 0 12108 1 1 0 0 0 13109 1 0 0 0 0 14110 1 0 0 0 0 14111 1 0 0 0 0 15112 1 0 0 0 0 15113 1 0 0 0 0 16114 1 0 0 0 0 20115 1 0 0 0 0 21116 1 0 0 0 0 21117 1 0 0 0 0 22118 1 0 0 0 0 22119 1 0 0 0 0 25120 1 0 0 0 0 25121 1 0 0 0 0 26122 1 0 0 0 0 26123 1 0 0 0 0 27124 1 0 0 0 0 30125 1 1 0 0 0 31126 1 0 0 0 0 31127 1 0 0 0 0 32128 1 0 0 0 0 32129 1 0 0 0 0 33130 1 6 0 0 0 34131 1 0 0 0 0 35132 1 0 0 0 0 35133 1 0 0 0 0 36134 1 0 0 0 0 36135 1 0 0 0 0 37136 1 0 0 0 0 40137 1 1 0 0 0 41138 1 0 0 0 0 41139 1 0 0 0 0 43140 1 0 0 0 0 45141 1 0 0 0 0 46142 1 0 0 0 0 47143 1 0 0 0 0 50144 1 6 0 0 0 51145 1 0 0 0 0 51146 1 0 0 0 0 52147 1 0 0 0 0 52148 1 0 0 0 0 53149 1 0 0 0 0 53150 1 0 0 0 0 57151 1 1 0 0 0 58152 1 0 0 0 0 58153 1 0 0 0 0 59154 1 0 0 0 0 59155 1 0 0 0 0 60156 1 0 0 0 0 60157 1 0 0 0 0 61158 1 0 0 0 0 61159 1 0 0 0 0 62160 1 0 0 0 0 65161 1 0 0 0 0 65162 1 0 0 0 0 66163 1 0 0 0 0 69164 1 1 0 0 0 70165 1 0 0 0 0 73166 1 1 0 0 0 74167 1 0 0 0 0 77168 1 6 0 0 0 78169 1 0 0 0 0 78170 1 0 0 0 0 79171 1 0 0 0 0 79172 1 0 0 0 0 80173 1 0 0 0 0 80174 1 0 0 0 0 81175 1 0 0 0 0 81176 1 0 0 0 0 82177 1 0 0 0 0 82178 1 0 0 0 0 83179 1 0 0 0 0 83180 1 0 0 0 0 84181 1 1 0 0 0 85182 1 0 0 0 0 86183 1 0 0 0 0 86184 1 0 0 0 0 87185 1 0 0 0 0 87186 1 0 0 0 0 88187 1 6 0 0 0 89188 1 0 0 0 0 90189 1 0 0 0 0 90190 1 0 0 0 0 91191 1 0 0 0 0 91192 1 0 0 0 0 M END > <DATABASE_ID> NP0017879 > <DATABASE_NAME> NP-MRD > <SMILES> [H]O[C@]([H])(C([H])([H])N([H])[H])C([H])([H])C([H])([H])[C@]([H])(N([H])C(=O)C(\N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N(C(=O)[C@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])[C@@]([H])(O[H])C([H])([H])N([H])[H])[C@@]([H])(O[H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C1=C([H])N=C([H])N1[H])C([H])([H])C([H])([H])[C@]([H])(O[H])C([H])([H])N([H])[H])=C(/[H])C([H])([H])C([H])([H])N=C(N([H])[H])N([H])[H])C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C54H101N23O14/c55-16-2-1-8-33(62)45(83)75-44(41(81)26-61)52(90)76-43(40(80)25-60)51(89)68-28-42(82)70-37(9-5-18-57)53(91)77-21-7-11-39(77)50(88)74-38(22-30-27-65-29-69-30)49(87)73-36(15-13-32(79)24-59)48(86)71-34(10-6-20-67-54(63)64)47(85)72-35(14-12-31(78)23-58)46(84)66-19-4-3-17-56/h10,27,29,31-33,35-41,43-44,78-81H,1-9,11-26,28,55-62H2,(H,65,69)(H,66,84)(H,68,89)(H,70,82)(H,71,86)(H,72,85)(H,73,87)(H,74,88)(H,75,83)(H,76,90)(H4,63,64,67)/b34-10-/t31-,32-,33-,35-,36-,37+,38-,39-,40-,41-,43-,44-/m0/s1 > <INCHI_KEY> ZDDTZHKHBWNHBP-XEABWGDRSA-N > <FORMULA> C54H101N23O14 > <MOLECULAR_WEIGHT> 1296.549 > <EXACT_MASS> 1295.789835024 > <JCHEM_ACCEPTOR_COUNT> 26 > <JCHEM_ATOM_COUNT> 192 > <JCHEM_AVERAGE_POLARIZABILITY> 138.20627673760285 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 24 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (2S,5S)-6-amino-N-[(1Z)-1-{[(1S,4S)-5-amino-1-[(4-aminobutyl)carbamoyl]-4-hydroxypentyl]carbamoyl}-4-[(diaminomethylidene)amino]but-1-en-1-yl]-2-[(2S)-2-{[(2S)-1-[(2R)-5-amino-2-{2-[(2S,3S)-4-amino-2-[(2S,3S)-4-amino-2-[(2S)-2,6-diaminohexanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]acetamido}pentanoyl]pyrrolidin-2-yl]formamido}-3-(1H-imidazol-5-yl)propanamido]-5-hydroxyhexanamide > <ALOGPS_LOGP> -2.37 > <JCHEM_LOGP> -15.111725765333334 > <ALOGPS_LOGS> -3.64 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 2 > <JCHEM_PHYSIOLOGICAL_CHARGE> 10 > <JCHEM_PKA_STRONGEST_BASIC> 10.995811637785293 > <JCHEM_POLAR_SURFACE_AREA> 664.3699999999998 > <JCHEM_REFRACTIVITY> 331.5092000000001 > <JCHEM_ROTATABLE_BOND_COUNT> 46 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 2.95e-01 g/l > <JCHEM_TRADITIONAL_IUPAC> (2S,5S)-6-amino-N-[(1Z)-1-{[(1S,4S)-5-amino-1-[(4-aminobutyl)carbamoyl]-4-hydroxypentyl]carbamoyl}-4-[(diaminomethylidene)amino]but-1-en-1-yl]-2-[(2S)-2-{[(2S)-1-[(2R)-5-amino-2-{2-[(2S,3S)-4-amino-2-[(2S,3S)-4-amino-2-[(2S)-2,6-diaminohexanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]acetamido}pentanoyl]pyrrolidin-2-yl]formamido}-3-(3H-imidazol-4-yl)propanamido]-5-hydroxyhexanamide > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0017879 (Odilorhabdin NOSO-95A)RDKit 3D 192193 0 0 0 0 0 0 0 0999 V2000 -16.0722 0.6395 2.4921 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.1935 0.6682 1.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5168 -0.5486 0.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8411 -0.7869 -0.7888 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3615 -0.8803 -0.7876 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7365 0.3815 -0.4251 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.3315 0.4153 -0.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6845 -0.6581 -0.5868 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5303 1.5920 0.0223 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.5812 2.7128 -0.9156 C 0 0 0 0 0 0 0 0 0 0 0 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13 1 0 12 14 1 0 14 15 1 0 9 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 3 24 25 1 0 24 26 1 0 19 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 30 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 2 0 45 46 1 0 40 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 57 62 1 0 62 63 1 0 63 64 2 0 63 65 1 0 65 66 1 0 66 67 1 0 67 68 2 0 67 69 1 0 69 70 1 0 70 71 1 0 71 72 2 0 71 73 1 0 73 74 1 0 74 75 1 0 75 76 2 0 75 77 1 0 77 78 1 0 77 79 1 0 79 80 1 0 80 81 1 0 81 82 1 0 82 83 1 0 73 84 1 0 84 85 1 0 84 86 1 0 86 87 1 0 69 88 1 0 88 89 1 0 88 90 1 0 90 91 1 0 46 42 1 0 54 50 1 0 1 92 1 0 1 93 1 0 2 94 1 0 2 95 1 0 3 96 1 0 3 97 1 0 4 98 1 0 4 99 1 0 5100 1 0 5101 1 0 6102 1 0 9103 1 1 10104 1 0 10105 1 0 11106 1 0 11107 1 0 12108 1 1 13109 1 0 14110 1 0 14111 1 0 15112 1 0 15113 1 0 16114 1 0 20115 1 0 21116 1 0 21117 1 0 22118 1 0 22119 1 0 25120 1 0 25121 1 0 26122 1 0 26123 1 0 27124 1 0 30125 1 1 31126 1 0 31127 1 0 32128 1 0 32129 1 0 33130 1 6 34131 1 0 35132 1 0 35133 1 0 36134 1 0 36135 1 0 37136 1 0 40137 1 1 41138 1 0 41139 1 0 43140 1 0 45141 1 0 46142 1 0 47143 1 0 50144 1 6 51145 1 0 51146 1 0 52147 1 0 52148 1 0 53149 1 0 53150 1 0 57151 1 1 58152 1 0 58153 1 0 59154 1 0 59155 1 0 60156 1 0 60157 1 0 61158 1 0 61159 1 0 62160 1 0 65161 1 0 65162 1 0 66163 1 0 69164 1 1 70165 1 0 73166 1 1 74167 1 0 77168 1 6 78169 1 0 78170 1 0 79171 1 0 79172 1 0 80173 1 0 80174 1 0 81175 1 0 81176 1 0 82177 1 0 82178 1 0 83179 1 0 83180 1 0 84181 1 1 85182 1 0 86183 1 0 86184 1 0 87185 1 0 87186 1 0 88187 1 6 89188 1 0 90189 1 0 90190 1 0 91191 1 0 91192 1 0 M END PDB for NP0017879 (Odilorhabdin NOSO-95A)HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 N UNK 0 -16.072 0.640 2.492 0.00 0.00 N+0 HETATM 2 C UNK 0 -15.194 0.668 1.289 0.00 0.00 C+0 HETATM 3 C UNK 0 -15.517 -0.549 0.509 0.00 0.00 C+0 HETATM 4 C UNK 0 -14.841 -0.787 -0.789 0.00 0.00 C+0 HETATM 5 C UNK 0 -13.361 -0.880 -0.788 0.00 0.00 C+0 HETATM 6 N UNK 0 -12.736 0.382 -0.425 0.00 0.00 N+0 HETATM 7 C UNK 0 -11.332 0.415 -0.339 0.00 0.00 C+0 HETATM 8 O UNK 0 -10.684 -0.658 -0.587 0.00 0.00 O+0 HETATM 9 C UNK 0 -10.530 1.592 0.022 0.00 0.00 C+0 HETATM 10 C UNK 0 -10.581 2.713 -0.916 0.00 0.00 C+0 HETATM 11 C UNK 0 -11.891 3.372 -1.122 0.00 0.00 C+0 HETATM 12 C UNK 0 -12.443 4.056 0.097 0.00 0.00 C+0 HETATM 13 O UNK 0 -12.662 3.277 1.200 0.00 0.00 O+0 HETATM 14 C UNK 0 -13.748 4.743 -0.354 0.00 0.00 C+0 HETATM 15 N UNK 0 -14.234 5.581 0.705 0.00 0.00 N+0 HETATM 16 N UNK 0 -9.104 1.155 0.166 0.00 0.00 N+0 HETATM 17 C UNK 0 -8.742 0.530 1.361 0.00 0.00 C+0 HETATM 18 O UNK 0 -9.601 0.317 2.233 0.00 0.00 O+0 HETATM 19 C UNK 0 -7.304 0.116 1.621 0.00 0.00 C+0 HETATM 20 C UNK 0 -7.084 -0.480 2.740 0.00 0.00 C+0 HETATM 21 C UNK 0 -5.814 -0.976 3.262 0.00 0.00 C+0 HETATM 22 C UNK 0 -5.759 -2.496 3.292 0.00 0.00 C+0 HETATM 23 N UNK 0 -6.826 -3.025 4.130 0.00 0.00 N+0 HETATM 24 C UNK 0 -7.528 -4.042 3.795 0.00 0.00 C+0 HETATM 25 N UNK 0 -7.289 -4.709 2.567 0.00 0.00 N+0 HETATM 26 N UNK 0 -8.559 -4.495 4.655 0.00 0.00 N+0 HETATM 27 N UNK 0 -6.404 0.391 0.616 0.00 0.00 N+0 HETATM 28 C UNK 0 -5.170 -0.138 0.208 0.00 0.00 C+0 HETATM 29 O UNK 0 -4.617 -1.085 0.734 0.00 0.00 O+0 HETATM 30 C UNK 0 -4.498 0.565 -0.983 0.00 0.00 C+0 HETATM 31 C UNK 0 -5.409 0.266 -2.174 0.00 0.00 C+0 HETATM 32 C UNK 0 -5.463 -1.241 -2.360 0.00 0.00 C+0 HETATM 33 C UNK 0 -6.325 -1.628 -3.517 0.00 0.00 C+0 HETATM 34 O UNK 0 -7.641 -1.196 -3.328 0.00 0.00 O+0 HETATM 35 C UNK 0 -6.318 -3.132 -3.726 0.00 0.00 C+0 HETATM 36 N UNK 0 -4.965 -3.578 -3.915 0.00 0.00 N+0 HETATM 37 N UNK 0 -3.177 0.295 -1.232 0.00 0.00 N+0 HETATM 38 C UNK 0 -2.263 -0.685 -0.898 0.00 0.00 C+0 HETATM 39 O UNK 0 -2.548 -1.680 -0.185 0.00 0.00 O+0 HETATM 40 C UNK 0 -0.831 -0.597 -1.391 0.00 0.00 C+0 HETATM 41 C UNK 0 -0.708 -0.752 -2.880 0.00 0.00 C+0 HETATM 42 C UNK 0 -1.405 0.217 -3.719 0.00 0.00 C+0 HETATM 43 C UNK 0 -0.895 1.437 -4.104 0.00 0.00 C+0 HETATM 44 N UNK 0 -1.783 2.033 -4.920 0.00 0.00 N+0 HETATM 45 C UNK 0 -2.829 1.209 -5.048 0.00 0.00 C+0 HETATM 46 N UNK 0 -2.618 0.094 -4.321 0.00 0.00 N+0 HETATM 47 N UNK 0 -0.025 -1.687 -0.818 0.00 0.00 N+0 HETATM 48 C UNK 0 1.159 -1.438 -0.087 0.00 0.00 C+0 HETATM 49 O UNK 0 1.504 -0.252 0.090 0.00 0.00 O+0 HETATM 50 C UNK 0 1.998 -2.539 0.457 0.00 0.00 C+0 HETATM 51 C UNK 0 1.465 -3.006 1.783 0.00 0.00 C+0 HETATM 52 C UNK 0 2.530 -2.708 2.798 0.00 0.00 C+0 HETATM 53 C UNK 0 3.798 -2.724 1.931 0.00 0.00 C+0 HETATM 54 N UNK 0 3.366 -2.121 0.691 0.00 0.00 N+0 HETATM 55 C UNK 0 4.095 -1.286 -0.193 0.00 0.00 C+0 HETATM 56 O UNK 0 3.479 -0.828 -1.232 0.00 0.00 O+0 HETATM 57 C UNK 0 5.516 -0.855 -0.067 0.00 0.00 C+0 HETATM 58 C UNK 0 6.265 -1.503 -1.197 0.00 0.00 C+0 HETATM 59 C UNK 0 6.299 -2.985 -1.178 0.00 0.00 C+0 HETATM 60 C UNK 0 7.133 -3.529 -0.084 0.00 0.00 C+0 HETATM 61 N UNK 0 6.813 -3.224 1.252 0.00 0.00 N+0 HETATM 62 N UNK 0 5.574 0.585 -0.229 0.00 0.00 N+0 HETATM 63 C UNK 0 5.302 1.359 -1.363 0.00 0.00 C+0 HETATM 64 O UNK 0 4.962 0.844 -2.440 0.00 0.00 O+0 HETATM 65 C UNK 0 5.414 2.875 -1.260 0.00 0.00 C+0 HETATM 66 N UNK 0 5.926 3.271 0.042 0.00 0.00 N+0 HETATM 67 C UNK 0 7.245 3.016 0.435 0.00 0.00 C+0 HETATM 68 O UNK 0 8.003 2.445 -0.431 0.00 0.00 O+0 HETATM 69 C UNK 0 7.868 3.342 1.760 0.00 0.00 C+0 HETATM 70 N UNK 0 9.303 3.148 1.553 0.00 0.00 N+0 HETATM 71 C UNK 0 9.923 1.908 1.340 0.00 0.00 C+0 HETATM 72 O UNK 0 9.176 0.895 1.318 0.00 0.00 O+0 HETATM 73 C UNK 0 11.367 1.745 1.143 0.00 0.00 C+0 HETATM 74 N UNK 0 11.771 0.857 0.110 0.00 0.00 N+0 HETATM 75 C UNK 0 12.268 -0.457 0.198 0.00 0.00 C+0 HETATM 76 O UNK 0 12.384 -0.975 1.324 0.00 0.00 O+0 HETATM 77 C UNK 0 12.645 -1.212 -1.008 0.00 0.00 C+0 HETATM 78 N UNK 0 12.577 -0.353 -2.205 0.00 0.00 N+0 HETATM 79 C UNK 0 13.891 -2.012 -0.966 0.00 0.00 C+0 HETATM 80 C UNK 0 13.876 -3.093 0.050 0.00 0.00 C+0 HETATM 81 C UNK 0 15.175 -3.902 0.023 0.00 0.00 C+0 HETATM 82 C UNK 0 15.396 -4.504 -1.351 0.00 0.00 C+0 HETATM 83 N UNK 0 14.308 -5.358 -1.768 0.00 0.00 N+0 HETATM 84 C UNK 0 12.132 3.014 1.224 0.00 0.00 C+0 HETATM 85 O UNK 0 13.509 2.740 1.507 0.00 0.00 O+0 HETATM 86 C UNK 0 12.104 3.863 -0.026 0.00 0.00 C+0 HETATM 87 N UNK 0 12.858 5.074 0.243 0.00 0.00 N+0 HETATM 88 C UNK 0 7.518 4.709 2.160 0.00 0.00 C+0 HETATM 89 O UNK 0 6.156 4.822 2.401 0.00 0.00 O+0 HETATM 90 C UNK 0 8.206 5.187 3.426 0.00 0.00 C+0 HETATM 91 N UNK 0 7.777 6.567 3.616 0.00 0.00 N+0 HETATM 92 H UNK 0 -15.539 1.138 3.257 0.00 0.00 H+0 HETATM 93 H UNK 0 -16.936 1.202 2.268 0.00 0.00 H+0 HETATM 94 H UNK 0 -15.395 1.576 0.704 0.00 0.00 H+0 HETATM 95 H UNK 0 -14.145 0.665 1.690 0.00 0.00 H+0 HETATM 96 H UNK 0 -16.650 -0.576 0.362 0.00 0.00 H+0 HETATM 97 H UNK 0 -15.322 -1.430 1.182 0.00 0.00 H+0 HETATM 98 H UNK 0 -15.250 -1.755 -1.232 0.00 0.00 H+0 HETATM 99 H UNK 0 -15.146 0.048 -1.514 0.00 0.00 H+0 HETATM 100 H UNK 0 -13.040 -1.701 -0.079 0.00 0.00 H+0 HETATM 101 H UNK 0 -13.003 -1.124 -1.819 0.00 0.00 H+0 HETATM 102 H UNK 0 -13.282 1.229 -0.257 0.00 0.00 H+0 HETATM 103 H UNK 0 -10.823 1.908 1.057 0.00 0.00 H+0 HETATM 104 H UNK 0 -9.873 3.528 -0.520 0.00 0.00 H+0 HETATM 105 H UNK 0 -10.171 2.428 -1.940 0.00 0.00 H+0 HETATM 106 H UNK 0 -11.717 4.258 -1.859 0.00 0.00 H+0 HETATM 107 H UNK 0 -12.621 2.773 -1.682 0.00 0.00 H+0 HETATM 108 H UNK 0 -11.711 4.883 0.353 0.00 0.00 H+0 HETATM 109 H UNK 0 -12.508 3.759 2.052 0.00 0.00 H+0 HETATM 110 H UNK 0 -13.516 5.350 -1.262 0.00 0.00 H+0 HETATM 111 H UNK 0 -14.502 3.968 -0.576 0.00 0.00 H+0 HETATM 112 H UNK 0 -14.402 5.011 1.552 0.00 0.00 H+0 HETATM 113 H UNK 0 -15.106 6.042 0.420 0.00 0.00 H+0 HETATM 114 H UNK 0 -8.504 1.356 -0.652 0.00 0.00 H+0 HETATM 115 H UNK 0 -7.991 -0.645 3.401 0.00 0.00 H+0 HETATM 116 H UNK 0 -5.864 -0.719 4.437 0.00 0.00 H+0 HETATM 117 H UNK 0 -4.892 -0.522 2.958 0.00 0.00 H+0 HETATM 118 H UNK 0 -4.776 -2.780 3.719 0.00 0.00 H+0 HETATM 119 H UNK 0 -5.896 -2.941 2.300 0.00 0.00 H+0 HETATM 120 H UNK 0 -6.509 -5.370 2.486 0.00 0.00 H+0 HETATM 121 H UNK 0 -7.880 -4.562 1.716 0.00 0.00 H+0 HETATM 122 H UNK 0 -9.081 -5.378 4.435 0.00 0.00 H+0 HETATM 123 H UNK 0 -8.833 -3.978 5.517 0.00 0.00 H+0 HETATM 124 H UNK 0 -6.679 1.259 -0.029 0.00 0.00 H+0 HETATM 125 H UNK 0 -4.613 1.652 -0.690 0.00 0.00 H+0 HETATM 126 H UNK 0 -6.386 0.710 -1.964 0.00 0.00 H+0 HETATM 127 H UNK 0 -4.992 0.755 -3.062 0.00 0.00 H+0 HETATM 128 H UNK 0 -4.456 -1.663 -2.374 0.00 0.00 H+0 HETATM 129 H UNK 0 -5.966 -1.621 -1.425 0.00 0.00 H+0 HETATM 130 H UNK 0 -5.980 -1.123 -4.470 0.00 0.00 H+0 HETATM 131 H UNK 0 -8.211 -1.861 -3.790 0.00 0.00 H+0 HETATM 132 H UNK 0 -6.774 -3.583 -2.826 0.00 0.00 H+0 HETATM 133 H UNK 0 -6.928 -3.363 -4.613 0.00 0.00 H+0 HETATM 134 H UNK 0 -4.355 -2.778 -4.139 0.00 0.00 H+0 HETATM 135 H UNK 0 -4.617 -4.101 -3.093 0.00 0.00 H+0 HETATM 136 H UNK 0 -2.701 1.102 -1.849 0.00 0.00 H+0 HETATM 137 H UNK 0 -0.435 0.383 -1.097 0.00 0.00 H+0 HETATM 138 H UNK 0 0.382 -0.747 -3.177 0.00 0.00 H+0 HETATM 139 H UNK 0 -1.040 -1.788 -3.149 0.00 0.00 H+0 HETATM 140 H UNK 0 0.060 1.887 -3.819 0.00 0.00 H+0 HETATM 141 H UNK 0 -3.732 1.379 -5.636 0.00 0.00 H+0 HETATM 142 H UNK 0 -3.200 -0.743 -4.189 0.00 0.00 H+0 HETATM 143 H UNK 0 -0.348 -2.648 -0.963 0.00 0.00 H+0 HETATM 144 H UNK 0 1.959 -3.350 -0.311 0.00 0.00 H+0 HETATM 145 H UNK 0 1.305 -4.114 1.749 0.00 0.00 H+0 HETATM 146 H UNK 0 0.499 -2.501 2.014 0.00 0.00 H+0 HETATM 147 H UNK 0 2.647 -3.469 3.570 0.00 0.00 H+0 HETATM 148 H UNK 0 2.359 -1.697 3.210 0.00 0.00 H+0 HETATM 149 H UNK 0 4.556 -2.081 2.412 0.00 0.00 H+0 HETATM 150 H UNK 0 4.135 -3.772 1.780 0.00 0.00 H+0 HETATM 151 H UNK 0 5.910 -1.178 0.891 0.00 0.00 H+0 HETATM 152 H UNK 0 7.349 -1.159 -1.198 0.00 0.00 H+0 HETATM 153 H UNK 0 5.843 -1.161 -2.182 0.00 0.00 H+0 HETATM 154 H UNK 0 5.255 -3.402 -1.167 0.00 0.00 H+0 HETATM 155 H UNK 0 6.801 -3.299 -2.147 0.00 0.00 H+0 HETATM 156 H UNK 0 8.233 -3.241 -0.229 0.00 0.00 H+0 HETATM 157 H UNK 0 7.221 -4.671 -0.162 0.00 0.00 H+0 HETATM 158 H UNK 0 6.510 -4.056 1.823 0.00 0.00 H+0 HETATM 159 H UNK 0 7.566 -2.678 1.765 0.00 0.00 H+0 HETATM 160 H UNK 0 5.865 1.080 0.694 0.00 0.00 H+0 HETATM 161 H UNK 0 4.388 3.257 -1.386 0.00 0.00 H+0 HETATM 162 H UNK 0 6.038 3.280 -2.070 0.00 0.00 H+0 HETATM 163 H UNK 0 5.264 3.743 0.666 0.00 0.00 H+0 HETATM 164 H UNK 0 7.476 2.511 2.420 0.00 0.00 H+0 HETATM 165 H UNK 0 9.863 4.024 1.576 0.00 0.00 H+0 HETATM 166 H UNK 0 11.685 1.177 2.114 0.00 0.00 H+0 HETATM 167 H UNK 0 11.679 1.253 -0.874 0.00 0.00 H+0 HETATM 168 H UNK 0 11.815 -1.983 -1.245 0.00 0.00 H+0 HETATM 169 H UNK 0 13.171 0.474 -2.016 0.00 0.00 H+0 HETATM 170 H UNK 0 11.598 -0.055 -2.414 0.00 0.00 H+0 HETATM 171 H UNK 0 14.795 -1.348 -0.835 0.00 0.00 H+0 HETATM 172 H UNK 0 14.064 -2.505 -1.976 0.00 0.00 H+0 HETATM 173 H UNK 0 13.757 -2.692 1.051 0.00 0.00 H+0 HETATM 174 H UNK 0 13.042 -3.820 -0.189 0.00 0.00 H+0 HETATM 175 H UNK 0 16.008 -3.274 0.317 0.00 0.00 H+0 HETATM 176 H UNK 0 15.060 -4.743 0.747 0.00 0.00 H+0 HETATM 177 H UNK 0 16.310 -5.168 -1.307 0.00 0.00 H+0 HETATM 178 H UNK 0 15.668 -3.717 -2.076 0.00 0.00 H+0 HETATM 179 H UNK 0 14.643 -6.287 -2.140 0.00 0.00 H+0 HETATM 180 H UNK 0 13.904 -4.893 -2.643 0.00 0.00 H+0 HETATM 181 H UNK 0 11.779 3.622 2.063 0.00 0.00 H+0 HETATM 182 H UNK 0 13.476 2.328 2.422 0.00 0.00 H+0 HETATM 183 H UNK 0 12.607 3.364 -0.880 0.00 0.00 H+0 HETATM 184 H UNK 0 11.106 4.139 -0.383 0.00 0.00 H+0 HETATM 185 H UNK 0 13.898 4.873 0.156 0.00 0.00 H+0 HETATM 186 H UNK 0 12.694 5.815 -0.499 0.00 0.00 H+0 HETATM 187 H UNK 0 7.814 5.398 1.307 0.00 0.00 H+0 HETATM 188 H UNK 0 6.015 4.398 3.304 0.00 0.00 H+0 HETATM 189 H UNK 0 7.881 4.577 4.287 0.00 0.00 H+0 HETATM 190 H UNK 0 9.318 5.217 3.319 0.00 0.00 H+0 HETATM 191 H UNK 0 7.960 6.909 4.592 0.00 0.00 H+0 HETATM 192 H UNK 0 8.362 7.162 2.985 0.00 0.00 H+0 CONECT 1 2 92 93 CONECT 2 1 3 94 95 CONECT 3 2 4 96 97 CONECT 4 3 5 98 99 CONECT 5 4 6 100 101 CONECT 6 5 7 102 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 16 103 CONECT 10 9 11 104 105 CONECT 11 10 12 106 107 CONECT 12 11 13 14 108 CONECT 13 12 109 CONECT 14 12 15 110 111 CONECT 15 14 112 113 CONECT 16 9 17 114 CONECT 17 16 18 19 CONECT 18 17 CONECT 19 17 20 27 CONECT 20 19 21 115 CONECT 21 20 22 116 117 CONECT 22 21 23 118 119 CONECT 23 22 24 CONECT 24 23 25 26 CONECT 25 24 120 121 CONECT 26 24 122 123 CONECT 27 19 28 124 CONECT 28 27 29 30 CONECT 29 28 CONECT 30 28 31 37 125 CONECT 31 30 32 126 127 CONECT 32 31 33 128 129 CONECT 33 32 34 35 130 CONECT 34 33 131 CONECT 35 33 36 132 133 CONECT 36 35 134 135 CONECT 37 30 38 136 CONECT 38 37 39 40 CONECT 39 38 CONECT 40 38 41 47 137 CONECT 41 40 42 138 139 CONECT 42 41 43 46 CONECT 43 42 44 140 CONECT 44 43 45 CONECT 45 44 46 141 CONECT 46 45 42 142 CONECT 47 40 48 143 CONECT 48 47 49 50 CONECT 49 48 CONECT 50 48 51 54 144 CONECT 51 50 52 145 146 CONECT 52 51 53 147 148 CONECT 53 52 54 149 150 CONECT 54 53 55 50 CONECT 55 54 56 57 CONECT 56 55 CONECT 57 55 58 62 151 CONECT 58 57 59 152 153 CONECT 59 58 60 154 155 CONECT 60 59 61 156 157 CONECT 61 60 158 159 CONECT 62 57 63 160 CONECT 63 62 64 65 CONECT 64 63 CONECT 65 63 66 161 162 CONECT 66 65 67 163 CONECT 67 66 68 69 CONECT 68 67 CONECT 69 67 70 88 164 CONECT 70 69 71 165 CONECT 71 70 72 73 CONECT 72 71 CONECT 73 71 74 84 166 CONECT 74 73 75 167 CONECT 75 74 76 77 CONECT 76 75 CONECT 77 75 78 79 168 CONECT 78 77 169 170 CONECT 79 77 80 171 172 CONECT 80 79 81 173 174 CONECT 81 80 82 175 176 CONECT 82 81 83 177 178 CONECT 83 82 179 180 CONECT 84 73 85 86 181 CONECT 85 84 182 CONECT 86 84 87 183 184 CONECT 87 86 185 186 CONECT 88 69 89 90 187 CONECT 89 88 188 CONECT 90 88 91 189 190 CONECT 91 90 191 192 CONECT 92 1 CONECT 93 1 CONECT 94 2 CONECT 95 2 CONECT 96 3 CONECT 97 3 CONECT 98 4 CONECT 99 4 CONECT 100 5 CONECT 101 5 CONECT 102 6 CONECT 103 9 CONECT 104 10 CONECT 105 10 CONECT 106 11 CONECT 107 11 CONECT 108 12 CONECT 109 13 CONECT 110 14 CONECT 111 14 CONECT 112 15 CONECT 113 15 CONECT 114 16 CONECT 115 20 CONECT 116 21 CONECT 117 21 CONECT 118 22 CONECT 119 22 CONECT 120 25 CONECT 121 25 CONECT 122 26 CONECT 123 26 CONECT 124 27 CONECT 125 30 CONECT 126 31 CONECT 127 31 CONECT 128 32 CONECT 129 32 CONECT 130 33 CONECT 131 34 CONECT 132 35 CONECT 133 35 CONECT 134 36 CONECT 135 36 CONECT 136 37 CONECT 137 40 CONECT 138 41 CONECT 139 41 CONECT 140 43 CONECT 141 45 CONECT 142 46 CONECT 143 47 CONECT 144 50 CONECT 145 51 CONECT 146 51 CONECT 147 52 CONECT 148 52 CONECT 149 53 CONECT 150 53 CONECT 151 57 CONECT 152 58 CONECT 153 58 CONECT 154 59 CONECT 155 59 CONECT 156 60 CONECT 157 60 CONECT 158 61 CONECT 159 61 CONECT 160 62 CONECT 161 65 CONECT 162 65 CONECT 163 66 CONECT 164 69 CONECT 165 70 CONECT 166 73 CONECT 167 74 CONECT 168 77 CONECT 169 78 CONECT 170 78 CONECT 171 79 CONECT 172 79 CONECT 173 80 CONECT 174 80 CONECT 175 81 CONECT 176 81 CONECT 177 82 CONECT 178 82 CONECT 179 83 CONECT 180 83 CONECT 181 84 CONECT 182 85 CONECT 183 86 CONECT 184 86 CONECT 185 87 CONECT 186 87 CONECT 187 88 CONECT 188 89 CONECT 189 90 CONECT 190 90 CONECT 191 91 CONECT 192 91 MASTER 0 0 0 0 0 0 0 0 192 0 386 0 END SMILES for NP0017879 (Odilorhabdin NOSO-95A)[H]O[C@]([H])(C([H])([H])N([H])[H])C([H])([H])C([H])([H])[C@]([H])(N([H])C(=O)C(\N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N(C(=O)[C@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])[C@@]([H])(O[H])C([H])([H])N([H])[H])[C@@]([H])(O[H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C1=C([H])N=C([H])N1[H])C([H])([H])C([H])([H])[C@]([H])(O[H])C([H])([H])N([H])[H])=C(/[H])C([H])([H])C([H])([H])N=C(N([H])[H])N([H])[H])C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H] INCHI for NP0017879 (Odilorhabdin NOSO-95A)InChI=1S/C54H101N23O14/c55-16-2-1-8-33(62)45(83)75-44(41(81)26-61)52(90)76-43(40(80)25-60)51(89)68-28-42(82)70-37(9-5-18-57)53(91)77-21-7-11-39(77)50(88)74-38(22-30-27-65-29-69-30)49(87)73-36(15-13-32(79)24-59)48(86)71-34(10-6-20-67-54(63)64)47(85)72-35(14-12-31(78)23-58)46(84)66-19-4-3-17-56/h10,27,29,31-33,35-41,43-44,78-81H,1-9,11-26,28,55-62H2,(H,65,69)(H,66,84)(H,68,89)(H,70,82)(H,71,86)(H,72,85)(H,73,87)(H,74,88)(H,75,83)(H,76,90)(H4,63,64,67)/b34-10-/t31-,32-,33-,35-,36-,37+,38-,39-,40-,41-,43-,44-/m0/s1 3D Structure for NP0017879 (Odilorhabdin NOSO-95A) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms |
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Chemical Formula | C54H101N23O14 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 1296.5490 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 1295.78984 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (2S,5S)-6-amino-N-[(1Z)-1-{[(1S,4S)-5-amino-1-[(4-aminobutyl)carbamoyl]-4-hydroxypentyl]carbamoyl}-4-[(diaminomethylidene)amino]but-1-en-1-yl]-2-[(2S)-2-{[(2S)-1-[(2R)-5-amino-2-{2-[(2S,3S)-4-amino-2-[(2S,3S)-4-amino-2-[(2S)-2,6-diaminohexanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]acetamido}pentanoyl]pyrrolidin-2-yl]formamido}-3-(1H-imidazol-5-yl)propanamido]-5-hydroxyhexanamide | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (2S,5S)-6-amino-N-[(1Z)-1-{[(1S,4S)-5-amino-1-[(4-aminobutyl)carbamoyl]-4-hydroxypentyl]carbamoyl}-4-[(diaminomethylidene)amino]but-1-en-1-yl]-2-[(2S)-2-{[(2S)-1-[(2R)-5-amino-2-{2-[(2S,3S)-4-amino-2-[(2S,3S)-4-amino-2-[(2S)-2,6-diaminohexanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]acetamido}pentanoyl]pyrrolidin-2-yl]formamido}-3-(3H-imidazol-4-yl)propanamido]-5-hydroxyhexanamide | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | NCCCCNC(=O)[C@H](CC[C@H](O)CN)NC(=O)C(\NC(=O)[C@H](CC[C@H](O)CN)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)[C@@H](O)CN)=C\CCN=C(N)N | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C54H101N23O14/c55-16-2-1-8-33(62)45(83)75-44(41(81)26-61)52(90)76-43(40(80)25-60)51(89)68-28-42(82)70-37(9-5-18-57)53(91)77-21-7-11-39(77)50(88)74-38(22-30-27-65-29-69-30)49(87)73-36(15-13-32(79)24-59)48(86)71-34(10-6-20-67-54(63)64)47(85)72-35(14-12-31(78)23-58)46(84)66-19-4-3-17-56/h10,27,29,31-33,35-41,43-44,78-81H,1-9,11-26,28,55-62H2,(H,65,69)(H,66,84)(H,68,89)(H,70,82)(H,71,86)(H,72,85)(H,73,87)(H,74,88)(H,75,83)(H,76,90)(H4,63,64,67)/b34-10-/t31-,32-,33-,35-,36-,37+,38-,39-,40-,41-,43-,44-/m0/s1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | ZDDTZHKHBWNHBP-XEABWGDRSA-N | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Chemical Shift Submissions | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species of Origin |
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Chemical Taxonomy | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
Classification | Not classified | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Physical Properties | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
State | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Properties |
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Predicted Properties |
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External Links | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
NPAtlas ID | NPA028338 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 146684503 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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