2026-01-17_00000162
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ligand
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9L8N
Structure of SID-1;
Electron microscopy 3.40Å
Protein #1
761 residues (82% resolved)
Raw Sequence ...
GPQNNSTTPSPIITSSNSSVLVFEISSKMKMIEKKLEANTVHVLRLELDQSFILDLTKVAAEIVDSSKYSKEDGVILEVTVSNGRDSFLLKLPTVYPNLKLYTDGKLLNPLVEQDFGAHRKRHRIGDPHFHQNLIVTVQSRLNADIDYRLHVTHLDRAQYDFLKFKTGQTTKTLSNQKLTFVKPIGFFLNCSEQNISQFHVTLYSEDDICANLITVPANESIYDRSVISDKTHNRRVLSFTKRADIFFTETEISMFKSFRIFVFIAPDDSGCSTNTSRKSFNEKKKISFEFKKLENQSYAVPTALMMIFLTTPCLLFLPIVINIIKNSRKLAPSQSNLISFSPVPSEQRDMDLSHDEQQNTSSELENNGEIPAAENQIVEEITAENQETSVEEGNREIQVKIPLKQDSLSLHGQMLQYPVAIILPVLMHTAIEFHKWTTSTMANRDEMCFHNHACARPLGELRAWNNIITNIGYTLYGAIFIVLSICRRGRHEYSHVFGTYECTLLDVTIGVFMVLQSIASATYHICPSDVAFQFDTPCIQVICGLLMVRQWFVRHESPSPAYTNILLVGVVSLNFLISAFSKTSYVRFIIAVIHVIVVGSICLAKERSLGSEKLKTRFFIMAFSMGNFAAIVMYLTLSAFHLNQIATYCFIINCIMYLMYYGCMKVLHSERITSKAKLCGALSLLAWAVAGFFFFQDDTDWTRSAAASRALNKPCLLLGFFGSHDLWHIFGALAGLFTFIFVSFVDDDLINTRKTSINIF
Canonical Sequence ...
GPQNNSTTPSPIITSSNSSVLVFEISSKMKMIEKKLEANTVHVLRLELDQSFILDLTKVAAEIVDSSKYSKEDGVILEVTVSNGRDSFLLKLPTVYPNLKLYTDGKLLNPLVEQDFGAHRKRHRIGDPHFHQNLIVTVQSRLNADIDYRLHVTHLDRAQYDFLKFKTGQTTKTLSNQKLTFVKPIGFFLNCSEQNISQFHVTLYSEDDICANLITVPANESIYDRSVISDKTHNRRVLSFTKRADIFFTETEISMFKSFRIFVFIAPDDSGCSTNTSRKSFNEKKKISFEFKKLENQSYAVPTALMMIFLTTPCLLFLPIVINIIKNSRKLAPSQSNLISFSPVPSEQRDMDLSHDEQQNTSSELENNGEIPAAENQIVEEITAENQETSVEEGNREIQVKIPLKQDSLSLHGQMLQYPVAIILPVLMHTAIEFHKWTTSTMANRDEMCFHNHACARPLGELRAWNNIITNIGYTLYGAIFIVLSICRRGRHEYSHVFGTYECTLLDVTIGVFMVLQSIASATYHICPSDVAFQFDTPCIQVICGLLMVRQWFVRHESPSPAYTNILLVGVVSLNFLISAFSKTSYVRFIIAVIHVIVVGSICLAKERSLGSEKLKTRFFIMAFSMGNFAAIVMYLTLSAFHLNQIATYCFIINCIMYLMYYGCMKVLHSERITSKAKLCGALSLLAWAVAGFFFFQDDTDWTRSAAASRALNKPCLLLGFFGSHDLWHIFGALAGLFTFIFVSFVDDDLINTRKTSINIF
Non polymer #2
LBN
InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1
InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
Non polymer #3
NAG
InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1
InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
Non polymer #4
Y01
InChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1
InChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C
Non polymer #5
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
hetero-2-4-mer
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Model
Reference
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