Structure of PDB 7coy Chain bB Binding Site BS07

Receptor Information
>7coy Chain bB (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 IDPHO
InChIInChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,56,59H,1,14-25,27H2,2-12H3/b34-26+,42-28-,43-29-,44-28-,45-30-,46-29-,47-30-,52-50-/t32-,33-,37+,41+,51-/m1/s1
InChIKeyCQIKWXUXPNUNDV-RCBXBCQGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCC1=C(c2cc3c(c(c([nH]3)cc4nc(c5c6c(c(c([nH]6)cc1n2)C)C(=O)C5C(=O)OC)C(C4C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C=C)C
CACTVS 3.370CCc1c(C)c2cc3[nH]c(cc4nc([C@@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]4C)c5[C@@H](C(=O)OC)C(=O)c6c(C)c([nH]c56)cc1n2)c(C)c3C=C
ACDLabs 12.01O=C(OC\C=C(/C)CCCC(C)CCCC(C)CCCC(C)C)CCC6c4nc(cc1c(c(\C=C)c(n1)cc5nc(cc3c(c2C(=O)C(c4c2n3)C(=O)OC)C)C(=C5C)CC)C)C6C
OpenEye OEToolkits 1.7.6CCC1=C(/c/2c/c3c(c(c([nH]3)/cc/4\nc(c5c6c(c(/c(/[nH]6)c/c1n2)C)C(=O)[C@@H]5C(=O)OC)[C@H]([C@@H]4C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C=C)C
CACTVS 3.370CCc1c(C)c2cc3[nH]c(cc4nc([CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)[CH]4C)c5[CH](C(=O)OC)C(=O)c6c(C)c([nH]c56)cc1n2)c(C)c3C=C
FormulaC55 H74 N4 O5
NamePHEOPHYTIN A
ChEMBLCHEMBL3349047
DrugBank
ZINC
PDB chain7coy Chain bB Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7coy Structure of the far-red light utilizing photosystem I of Acaryochloris marina.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		M427 F431 F528 V532 L535 I536 L581 F584 W585
Binding residue
(residue number reindexed from 1)		M395 F399 F450 V454 L457 I458 L503 F506 W507
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
UniProtB0C475

[Back to BioLiP]