Structure of PDB 7coy Chain cB Binding Site BS33

Receptor Information
>7coy Chain cB (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 IDPQN
InChIInChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1
InChIKeyMBWXNTAXLNYFJB-NKFFZRIASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1=C(C(=O)c2ccccc2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C
ACDLabs 10.04O=C2c1c(cccc1)C(=O)C(=C2C)C\C=C(/C)CCCC(C)CCCC(C)CCCC(C)C
OpenEye OEToolkits 1.5.0CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CCC[C@H](C)CCC[C@H](C)CCCC(C)C
CACTVS 3.341CC(C)CCC[CH](C)CCC[CH](C)CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O
CACTVS 3.341CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(/C)=C/CC1=C(C)C(=O)c2ccccc2C1=O
FormulaC31 H46 O2
NamePHYLLOQUINONE;
VITAMIN K1;
2-METHYL-3-PHYTYL-1,4-NAPHTHOQUINONE
ChEMBLCHEMBL1550
DrugBankDB01022
ZINCZINC000003831332
PDB chain7coy Chain cB Residue 828 [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)		I21 L665 F666 S669 W670 R671 W674 A702 L703 G708
Binding residue
(residue number reindexed from 1)		I19 L587 F588 S591 W592 R593 W596 A624 L625 G630
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
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7coy, PDBe:7coy, PDBj:7coy
PDBsum7coy
PubMed33879791
UniProtB0C475

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