Structure of PDB 8wm6 Chain A Binding Site BS55

Receptor Information
>8wm6 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 IDII0
InChIInChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1
InChIKeyDVICWXUADSCSLL-DDEWRDOISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1=C(C(C[C@@H](C1)O)(C)C)C#C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C#CC2=C(C[C@H](CC2(C)C)O)C)\C)\C)/C)/C
CACTVS 3.385CC(=C\C=C\C=C(C)\C=C\C=C(C)\C#CC1=C(C)C[C@@H](O)CC1(C)C)/C=C/C=C(C)/C#CC2=C(C)C[C@@H](O)CC2(C)C
OpenEye OEToolkits 2.0.7CC1=C(C(CC(C1)O)(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(=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)C[CH](O)CC2(C)C
FormulaC40 H52 O2
Name(1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol;
Alloxanthin
ChEMBL
DrugBank
ZINC
PDB chain8wm6 Chain J Residue 104 [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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PDB8wm6 Growth phase-dependent reorganization of cryptophyte photosystem I antennae.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		W119 I121
Binding residue
(residue number reindexed from 1)		W109 I111
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:8wm6, PDBe:8wm6, PDBj:8wm6
PDBsum8wm6
PubMed38734819
UniProtA6MVZ7

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