Structure of PDB 5oy0 Chain B Binding Site BS48

Receptor Information
>5oy0 Chain B (length=731) Species: 1148 (Synechocystis sp. PCC 6803) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MATKFPKFSQDLAQDPTTRRIWYGIATAHDFETHDGMTEENLYQKIFASH
FGHIAIIFLWTSGTLFHVAWQGNFEQWIKDPLNIRPIAHAIWDPHFGEGA
VNAFTQAGASNPVNIAYSGVYHWFYTIGMTTNQELYSGAVFLLVLASLFL
FAGWLHLQPKFRPSLAWFKNAESRLNHHLAGLFGVSSLAWAGHLVHVAIP
EARGQHVGWDNFLSTPPHPAGLMPFFTGNWGVYAADPDTAGHIFGTSEGA
GTAILTFLGGFHPQTESLWLTDIAHHHLAIAVIFIIAGHMYRTNWGIGHS
IKEILNAHKGPLTGAGHTNLYDTINNSLHFQLGLALASLGVITSLVAQHM
YSLPSYAFIAQDHTTQAALYTHHQYIAGFLMVGAFAHGAIFFVRDYDPVA
NKDNVLARMLEHKEALISHLSWVSLFLGFHTLGLYVHNDVVVAFGTPEKQ
ILIEPVFAQWIQATSGKALYGFDVLLSNPDSIASTTGAAWLPGWLDAINS
GTNSLFLTIGPGDFLVHHAIALGLHTTALILIKGALDARGSKLMPDKKDF
GYSFPCDGPGRGGTCDISAWDAFYLAMFWMLNTLGWLTFYWHWKHLGVWS
GNVAQFNENSTYLMGWFRDYLWANSAQLINGYNPYGVNNLSVWAWMFLFG
HLVWATGFMFLISWRGYWQELIETIVWAHERTPLANLVRWKDKPVALSIV
QARLVGLAHFTVGYVLTYAAFLIASTAGKFG
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 chain5oy0 Chain B Residue 2002 [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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PDB5oy0 Structure and function of wild-type and subunit-depleted photosystem I in Synechocystis.
Resolution2.501 Å
Binding residue
(original residue number in PDB)		M659 F660 S663 W664 R665 W668 A696 L697 A702
Binding residue
(residue number reindexed from 1)		M659 F660 S663 W664 R665 W668 A696 L697 A702
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:0005886 plasma membrane
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:5oy0, PDBe:5oy0, PDBj:5oy0
PDBsum5oy0
PubMed29414678
UniProtP29255|PSAB_SYNY3 Photosystem I P700 chlorophyll a apoprotein A2 (Gene Name=psaB)

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