Structure of PDB 7coy Chain aA Binding Site BS01

Receptor Information
>7coy Chain aA (length=685) Species: 329726 (Acaryochloris marina MBIC11017) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KGPQTTTWIWNLHALAHDFDTQTNDLEEISRKIFSAHFGHLSIIFVWISG
MIFHAARFSNYYAWLADPLGNKPSAHVVWPIVGQDILNADVGNGFRGVQI
TSGLFHILRGAGMTDPGELYSAAIGALVAAVVMMYAGYYHYHKKAPKLEW
FQNAESTMTHHLIVLLGLGNLAWTGHLIHVSLPVNKLLDSGVAPQDIPIP
HEFYSDFLTFKGGLDPTTGGLWMTDIAHHHLALAVMYIIAGHMYRTNWGI
GHSMKEIMESHKGPFTGEGHKGLYEVLTTSWHAQLAINLATWGSFSIIVA
HHMYAMPPYPYLATDYGTQLNLFVHHMWIGGFLIVGGAAHAAIFMVRDYD
PAVNQNNVLDRMLRHRDTIISHLNWVCIFLGFHSFGLYIHNDNMRSLGRP
QDMFSDTAIQLQPIFSQWVQNLQANVAGTIRAPLAEGASSLAWGGDPLFV
GGKVAMQHVSLGTADFMIHHIHAFQIHVTVLILIKGVLYARSSRLIPDKA
NLGFRFPCDGPGRGGTCQSSGWDHIFLGLFWMYNCISIVNFHFFWKMQSD
VWGAANANGGVNYLTAGNWAQSSITINGWLRDFLWAQSVQVINSYGSALS
AYGILFLGAHFIWAFSLMFLFSGRGYWQELIESIVWAHSKLKIAPAIQPR
AMSITQGRAVGLGHYLLGGIVTSWSFYLARILALG
Ligand information
Ligand IDG9R
InChIInChI=1S/C54H71N4O6.Mg/c1-12-38-34(7)42-27-46-40(29-59)36(9)41(56-46)26-43-35(8)39(51(57-43)49-50(54(62)63-11)53(61)48-37(10)44(58-52(48)49)28-45(38)55-42)22-23-47(60)64-25-24-33(6)21-15-20-32(5)19-14-18-31(4)17-13-16-30(2)3;/h24,26-32,35,39,50H,12-23,25H2,1-11H3,(H-,55,56,57,58,59,61);/q-1;+2/p-1/b33-24+;/t31-,32-,35+,39+,50+;/m1./s1
InChIKeyQXWRYZIMSXOOPY-WXWFEFDWSA-M
SMILES
SoftwareSMILES
CACTVS 3.385CCC1=C(C)C2=Cc3n4[Mg][N@]5C(=CC1=N2)C(=C6C(=O)[C@@H](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C=O)[C@@H](C)[C@@H]7CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C
OpenEye OEToolkits 2.0.7CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C(C(C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)C(C9CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C=O)C
OpenEye OEToolkits 2.0.7CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=O)C
CACTVS 3.385CCC1=C(C)C2=Cc3n4[Mg][N]5C(=CC1=N2)C(=C6C(=O)[CH](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C=O)[CH](C)[CH]7CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C
FormulaC54 H70 Mg N4 O6
NameCHLOROPHYLL D ISOMER
ChEMBL
DrugBank
ZINC
PDB chain7coy Chain aA Residue 3101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7coy Structure of the far-red light utilizing photosystem I of Acaryochloris marina.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		Y456 I539 F542 Q543 Y601 N602 I606 F609 I644 W647 L652 S656 F674 H678 W681 Y733 T740 S741 F744
Binding residue
(residue number reindexed from 1)		Y388 I471 F474 Q475 Y533 N534 I538 F541 I576 W579 L584 S588 F606 H610 W613 Y665 T672 S673 F676
Annotation score1
Enzymatic activity
Enzyme Commision number 1.97.1.12: photosystem I.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0009055 electron transfer activity
GO:0016168 chlorophyll binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0015979 photosynthesis
Cellular Component
GO:0009522 photosystem I
GO:0009579 thylakoid
GO:0016020 membrane
GO:0031676 plasma membrane-derived thylakoid membrane
GO:0042651 thylakoid membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7coy, PDBe:7coy, PDBj:7coy
PDBsum7coy
PubMed33879791
UniProtB0C474|PSAA_ACAM1 Photosystem I P700 chlorophyll a apoprotein A1 (Gene Name=psaA)

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