Structure of PDB 7coy Chain bA Binding Site BS24

Receptor Information
>7coy Chain bA (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 IDCL7
InChIInChI=1S/C54H72N4O6.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,(H2-2,55,56,57,58,59,61);/q-2;+4/p-2/b33-24+,43-26-;/t31-,32-,35+,39+,50-;/m1./s1
InChIKeyFBCRYORFRGRJBC-ACDPFEIMSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.5CCC1=C(C2=Cc3c(c(c4n3[Mg]56N2C1=Cc7n5c8c(c7C)C(=O)[C@@H](C8=C9N6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C(=O)OC)C)C=O)C
CACTVS 3.385CCC1=C(C)C2=Cc3n4c(C=C5[C@@H](C)[C@H](CCC(=O)OC\C=C(C)\CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C6=C7[C@@H](C(=O)OC)C(=O)c8c(C)c9C=C1[N@@]2[Mg]4([N@@]56)n9c78)c(C)c3C=O
OpenEye OEToolkits 1.7.5CCC1=C(C2=Cc3c(c(c4n3[Mg]56N2C1=Cc7n5c8c(c7C)C(=O)C(C8=C9N6C(=C4)C(C9CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(=O)OC)C)C=O)C
CACTVS 3.385CCC1=C(C)C2=Cc3n4c(C=C5[CH](C)[CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C6=C7[CH](C(=O)OC)C(=O)c8c(C)c9C=C1[N]2[Mg]4([N]56)n9c78)c(C)c3C=O
FormulaC54 H70 Mg N4 O6
NameCHLOROPHYLL D
ChEMBL
DrugBank
ZINC
PDB chain7coy Chain bA Residue 3125 [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)		F450 G454 L455 I457 H458 M462 R467 D470 F472 I477
Binding residue
(residue number reindexed from 1)		F382 G386 L387 I389 H390 M394 R399 D402 F404 I409
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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