Structure of PDB 6yxr Chain B Binding Site BS46

Receptor Information
>6yxr Chain B (length=730) Species: 3046 (Dunaliella salina) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FPKFSQGLAQDPSTRRIWYGLATAHDFESHDGMTEENLYQKIFASHFGQL
AIIFLWTSGNLFHVAWQGNFEQWVTDPIHVRPIAHAIWDPHFGQPAVEAF
TRGGASGPVNIATSGVYQWWYTIGLRSNQELYVSSVFLALVSAVFLFAGW
LHLQPNFQPSLSWFKDAESRLNHHLAGLFGVSSLAWTGHLVHVAIPESRG
QHVGWDNFLSVLPHPQGLTPFWSGNWAAYAQNPDTASHAFGTADGSGTAI
LTFLGGFHPQTQSLWLSDMAHHHLAIAVLFIVAGHMYRTNFGIGHRLEAI
LEAHTPPAGGLGAGHKGLFHTVNNSLHFQLGLALASVGTITSLVAQHMYS
LPPYAYLAVDFTTQASLYTHHQYIAGFIMCGAFAHGAIFFIRDYDPEQNK
GNVLARVLDHKEAIISHLSWVSLFLGFHTLGLYVHNDVVQAFGTPEKQIL
IEPVFAQWIQAAQGKSLYGFDLLLASSSSPAYSAGQSLWLPGWLEAINNN
QNSLFLTIGPGDFLVHHAIALGLHTTTLILVKGALDARGSKLMPDKKDFG
YSFPCDGPGRGGTCDISAYDAFYLAVFWMLNTIGWVTFYWHWKHLTLWQG
NVSQFDESSTYLMGWLRDYLWLNSSQLINGYNPFGMNSLSVWAWTFLFGH
LVYATGFMFLISWRGYWQELIETLVWAHEKTPLANLVYWKDKPVALSIVQ
ARLVGLAHFSVGYIFTYAAFLIASTAGRFG
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 chain6yxr 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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PDB6yxr Structure and energy transfer pathways of the Dunaliella Salina photosystem I supercomplex.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		M663 F664 A700 L701 A706
Binding residue
(residue number reindexed from 1)		M658 F659 A695 L696 A701
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6yxr, PDBe:6yxr, PDBj:6yxr
PDBsum6yxr
PubMed32569661
UniProtD0FXZ0

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