Structure of PDB 7r3k Chain F Binding Site BS07

Receptor Information
>7r3k Chain F (length=165) Species: 3055 (Chlamydomonas reinhardtii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DIAGLTPCSESKAYAKLEKKELKTLEKRLKQYEADSAPAVALKATMERTK
ARFANYAKAGLLCGNDGLPHLIADPGLALKYGHAGEVFIPTFGFLYVAGY
IGYVGRQYLIAVKGEAKPTDKEIIIDVPLATKLAWQGAGWPLAAVQELQR
GTLLEKEENITVSPR
Ligand information
Ligand IDRRX
InChIInChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1
InChIKeyDMASLKHVQRHNES-FKKUPVFPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C
CACTVS 3.385CC(=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C
CACTVS 3.385CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=CC2=C(C)CCCC2(C)C
OpenEye OEToolkits 1.7.6CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C[C@H](CC2(C)C)O)C)/C)/C
ACDLabs 12.01OC2CC(=C(\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)C)C)C)C)C(C)(C)C2)C
FormulaC40 H56 O
Name(3R)-beta,beta-caroten-3-ol;
beta-Cryptoxanthin
ChEMBL
DrugBankDB15914
ZINCZINC000004097702
PDB chain7r3k Chain F Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7r3k Structure of Photosystem I Supercomplex Isolated from a Chlamydomonas reinhardtii Cytochrome b6f Temperature-Sensitive Mutant.
Resolution2.52 Å
Binding residue
(original residue number in PDB)		P137 T153 G161 G164 W202
Binding residue
(residue number reindexed from 1)		P75 T91 G99 G102 W140
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
Biological Process
GO:0015979 photosynthesis
Cellular Component
GO:0009507 chloroplast
GO:0009522 photosystem I
GO:0009538 photosystem I reaction center
GO:0009543 chloroplast thylakoid lumen
GO:0009579 thylakoid

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7r3k, PDBe:7r3k, PDBj:7r3k
PDBsum7r3k
PubMed36979472
UniProtP12356|PSAF_CHLRE Photosystem I reaction center subunit III, chloroplastic (Gene Name=PSAF)

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