Structure of PDB 7coy Chain aB Binding Site BS09

Receptor Information
>7coy Chain aB (length=658) Species: 329726 (Acaryochloris marina MBIC11017) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKFPSFSQDLAQDPTTRRIWYGIATVHDFETHDGMTEENLYQKIFATHFG
HLSIIFLWSAGHLFHVAWQGNFEQWIQDPLTIRPIAHAIWDPHLGDAATQ
AFTQAGASGPVDLCYSGLYQWWYTIGMRTNGDLYIGSVFLMIVAAVMLFA
GWLHLQPKFRPSLAWFRDAESQMNHHLAVLFGASSLGWTGHLIHVAIPEA
RGQHVGWDNFLSTMPHPAGLAPFFTGRWGVYAQNPDTAGHIFGTSEGAGT
AIITFIGGFHPQTEALWLTDIAHHHLAIAVMYIIAGHMYLYDTYNESLHF
QLGFHLAALGVITSVVAQHMYSLPSYAFISQDHVTQAALYTHHQYIAGIL
AIGAFAHGGIFFVRDYDPERNKNNVLARALEHKEAIISHLSWVSMFSGFH
TLGVYVHNDTVVAFGTPEKQILVEPIFAQWIQPFMSQGPGDFLVHHGIAF
SLHVTVLICVKGCLDARGSKLMPDKKDFGYSFPCDGPGRGGTCDISAWDS
FYLAFFWMLNTIGWIVFYFNWKHLAIWSGNEAQFNTNSTYLMGWLRDYLW
GYSAQLINGYTPFGVNSLSVWAWIFLLGHLCWATGFLFLISWRGYWQELI
ETLVWAHQRTPLANLVTWKDKPVALSIVQGRLVGLVHFAVGYYVTYAAFV
IGATAPLG
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 aB Residue 3002 [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)		V438 D441 F528 W585 N588 W592 L619 W660
Binding residue
(residue number reindexed from 1)		V406 D409 F450 W507 N510 W514 L541 W582
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

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7coy, PDBe:7coy, PDBj:7coy
PDBsum7coy
PubMed33879791
UniProtB0C475

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