Structure of PDB 6fos Chain B Binding Site BS35

Receptor Information
>6fos Chain B (length=724) Species: 280699 (Cyanidioschyzon merolae strain 10D) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FSQALASDPTTRRIWYGIATAHDFESHDGMTEENLYQKIFASHFGHLAII
FLWTSGNLFHVAWQGNFEQWVANPLKTKPLAHAIWDPHFGQAALKAFTRG
DTVANISYSGVYHWWYTIGIRNNVELYTGALGLLVLSAVFLLAGWLHIQP
KFKPSLSWFKNNESRLNHHLAGLFGVSSLAWTGHLVHVAIPASRGQHVGW
DNFIMTPPHPAGLQPFFTGNWSVYAQSPDSMQHVFGTSQGAGTAILTFLG
GFHPQTQSLWLTDMAHHHLAIAVIFIVAGHMYRTNFGIGHNLKTILEAHR
PPSGRLGKGHIGIYQTLTNSLHFQLGLALASLSVVTSLVAQHMYAMPPYA
YMAFDYVTQSALYTHHQYIAGLLIVGAFAHGAIFFIRDYDPEQNQDNVLA
RMLAHKEAVISHLSWVSLFLGFHTLGLYVHNDVVVAFGNPEKQILIEPIF
AQWIQATSGKMLYGFQVLLSSSTSNASVAAQQLWLPGWLEAVNNESNSLF
LTIGPGDFLVHHAIALGLHTTTLILVKGALDARGSKLMPDKKDFGYSFPC
DGPGRGGTCDISAWDAFYLAMFWMLNTIGWVTFYWHWKHLSLWQGNVAQF
NESSTYLMGWLRDYLWLNSSPLINGYNPYGMNSLAVWSWMFLFAHLVWAT
GFMFLISWRGYWQELIETLAWAHERTPLANLIRWKDKPVALSIVQARLVG
LVHFTVGYILTYAAFVIASTAGKF
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 chain6fos 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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PDB6fos Structure and function of photosystem I in Cyanidioschyzon merolae.
Resolution4.0 Å
Binding residue
(original residue number in PDB)		M660 F661 S664 W665 R666 W669 A697 L698
Binding residue
(residue number reindexed from 1)		M653 F654 S657 W658 R659 W662 A690 L691
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:0009507 chloroplast
GO:0009522 photosystem I
GO:0009535 chloroplast thylakoid membrane
GO:0009579 thylakoid
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6fos, PDBe:6fos, PDBj:6fos
PDBsum6fos
PubMed29582227
UniProtQ85FY6|PSAB_CYAM1 Photosystem I P700 chlorophyll a apoprotein A2 (Gene Name=psaB)

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