Structure of PDB 8jw0 Chain b Binding Site BS40

Receptor Information
>8jw0 Chain b (length=617) Species: 2961 (Amphidinium carterae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YGRCATQRYFQVLGNIHDIELNESLNSPQAIQALSFGQLSVILLWLAAYT
FHIGWSGNFEAFIDNPLGVQPINHFVLDPHYSQYKVDTTIAALTNHPIYH
WLMTVGFTSNAQIYRFTLGLEITAAVMLVLSLAPSVGLLSMGGLEVVSWI
SICWAGHLVNFAPGAANLTNVVMEGPGSLGNLMNVLTFNGGIQLGTQALA
VSDVAHHHVAIGIVGLWISALLRVSKYAWNFNTQSSYHLDLSLSLTVGGI
LTSLLAQQAYVYPALSYLPYDYLTTTSLYVHHQYIGAFLATGGFVHGGIF
LVRDYTLSNDLVGKLLATKATVISTLSWITLFLGFHATGLYMHNDAMAAF
GVPQKQIIIEPVFAEFIQQVFFLGTPVYGLGSAAVSSTPTLSFLPIISGG
DFLVHHAIALGLHTTVLVLIKGALDSQGSYLFPDKQSFGYGFACDGPGRG
GTCDISTWDSFYLAFFWVNNTVAWFTYYFHWKVLSLWQSSTAVFDENSLY
LMGWFRDYLWQNCAALLSGYDSLGSNDLAVWAWAFLLAHLAWATGFMFLI
SWRGYWQELIDTVIYMHLKAPFFNEIWSADVVTPVALSIVQARFIGLAHY
VAGFILTYLAFVVGATS
Ligand information
Ligand IDDD6
InChIInChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23-,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1
InChIKeyOGHZCSINIMWCSB-WMTIXGNLSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01CC([C@H]=C[C@H]=C(C#CC=1C(C)(C)CC(CC=1C)O)C)=[C@H]C=[C@H]\C=C(/C)\C=C\C=C(/C)\C=C/C32OC2(CC(CC3(C)C)O)C
OpenEye OEToolkits 2.0.6CC1=C(C(CC(C1)O)(C)C)C#CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C)C)C
CACTVS 3.385CC1=C(C#CC(\C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C/[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)C(C)(C)C[C@H](O)C1
OpenEye OEToolkits 2.0.6CC1=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(\C)/C=C\[C@]23[C@](O2)(C[C@H](CC3(C)C)O)C)/C)/C
CACTVS 3.385CC1=C(C#CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C[C]23O[C]2(C)C[CH](O)CC3(C)C)C(C)(C)C[CH](O)C1
FormulaC40 H54 O3
Name(3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol;
Diadinoxanthin
ChEMBL
DrugBank
ZINC
PDB chain8jw0 Chain m Residue 101 [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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PDB8jw0 Structures and organizations of PSI-AcpPCI supercomplexes from red tidal and coral symbiotic photosynthetic dinoflagellates.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		Q32 F36 L39 I150
Binding residue
(residue number reindexed from 1)		Q32 F36 L39 I150
Annotation score1
Enzymatic activity
Enzyme Commision number 1.97.1.12: photosystem I.
Gene Ontology
Molecular Function
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8jw0, PDBe:8jw0, PDBj:8jw0
PDBsum8jw0
PubMed38319970
UniProtP58383|PSAB_AMPCA Photosystem I P700 chlorophyll a apoprotein A2 (Gene Name=psaB)

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