Structure of PDB 8wmw Chain J Binding Site BS05

Receptor Information
>8wmw Chain J (length=42) Species: 52970 (Rhodomonas salina) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDSNFLKYLSTAPVLFTVWLSFTASFIIEANRFFPDMLYFPM
Ligand information
Ligand IDWVN
InChIInChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1
InChIKeyANVAOWXLWRTKGA-NTXLUARGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C
CACTVS 3.385CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C)C=CC=C(C)C=C[CH]2C(=CCCC2(C)C)C
CACTVS 3.385CC(=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/[C@H]2C(=CCCC2(C)C)C
OpenEye OEToolkits 2.0.7CC1=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/[C@H]2C(=CCCC2(C)C)C)/C)/C
FormulaC40 H56
Name1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene;
ALPHA-CAROTENE
ChEMBL
DrugBank
ZINC
PDB chain8wmw Chain J Residue 102 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8wmw Growth phase-dependent reorganization of cryptophyte photosystem I antennae.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		M37 L38 Y39 F40 P41
Binding residue
(residue number reindexed from 1)		M37 L38 Y39 F40 P41
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0009507 chloroplast
GO:0009522 photosystem I
GO:0009535 chloroplast thylakoid membrane
GO:0009579 thylakoid
GO:0016020 membrane

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8wmw, PDBe:8wmw, PDBj:8wmw
PDBsum8wmw
PubMed38734819
UniProtA6MVU6|PSAJ_RHDSA Photosystem I reaction center subunit IX (Gene Name=psaJ)

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