Structure of PDB 8wmj Chain A Binding Site BS45

Receptor Information
>8wmj Chain A (length=742) Species: 52970 (Rhodomonas salina) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKVSITVDRDPVATSFEKWAQPGHFSRTLAKGPKTTTWIWNLHADVHDFD
SHTNSLEDISRKIFSAHFGQLSIIFLWLSGMYFHGARFSNYSAWLSNPTA
VKPSAQVVWPIVGQEVLNGDVGGGFQGVQVTSGFFQIWRSSGITSEVELY
WCALAGLIMSGLMIFAGWFHYHKAAPKLEWFQNAESMLNHHLSGLLGLGC
LSWAGHQIHVSLPVNKLLDAGVAPQEIPLPHEFLVNRDLMAQLYPSFSKG
LVPFFTLNWSEYSDFLTFKGGLNPVTGGLWLSDTAHHHLALAVLFIVAGH
MYRTNWGIGHSMKEILEAHKGPFTGEGHKGLYEILTTSWHAQLAINLAML
GSVSIIVAHHMYAMPPYPYIATDYPTQLSIFTHHMWIGGFCVCGGAAHAG
IFMVRDYNPAQNYNNLLDRVIRHRDAIISHLNWICIFLGFHSFGLYIHND
TMRALGRTQDMFSDTAIQLKPVFAQWVQSIHTLAPGNTTPNALATASYAF
GGDVVAVGNKVAMMPISLGTADFMVHHIHAFTIHVTVLILLKGVLFSRNS
RLIPDKANLGFRFPCDGPGRGGTCQSSAWDSVFLGLFWMYNCISVVIFHF
SWKMQSDVWGTVQSDGTVTHITGGNFAQSAITINGWLRDFLWAQASQVIQ
SYGSALSAYGLIFLGAHFIWAFSLMFLFSGRGYWQELIESIVWAHNKLNV
APAIQPRALSITQGRAVGLAHYLLGGIGTTWAFFLARIISVG
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 chain8wmj Chain A Residue 847 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8wmj Growth phase-dependent reorganization of cryptophyte photosystem I antennae.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		F85 C162 L210 S214
Binding residue
(residue number reindexed from 1)		F75 C152 L198 S202
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:8wmj, PDBe:8wmj, PDBj:8wmj
PDBsum8wmj
PubMed38734819
UniProtA6MVZ7

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