Structure of PDB 8wb4 Chain a Binding Site BS12

Receptor Information
>8wb4 Chain a (length=334) Species: 173977 (Chroomonas placoidea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SASAWERFCSWITSTDNRLYIGWFGVLMIPTLLTATTVYIIAFVAAPPVD
IDGIREPVAGSLLYGNNIITGAVIPSSASIGIHFYPIWEAASLDEWLYNG
GPYQLIVDHFLLGVCGWIGREWEFSYRLGMRPWISVAFTAPVAAASAVFL
VYPIGQGSFSDGMPLGISGTFNFMLVFQAEHNILMHPFHQLGVAGVFGGS
LFSAMHGSLVTSSLIRETTENESANYGYKFGQEEETYNIVAAHGYFGRLI
FQYASFNNSRALHFFLGLWPVVGIWFTALGVMTMAFNLNGFNFNQSVVDS
QGRVINTWADILNRANLGMEVMHERNAHNFPLDL
Ligand information
Ligand ID8CT
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-GZSHKXEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC1=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
OpenEye OEToolkits 2.0.6CC1=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/[C@H]2C(=CCCC2(C)C)C)\C)/C
ACDLabs 12.01CC=1CCCC(C=1[C@H]=[C@H]C(=[C@H][C@H]=[C@H]C(C)=[C@H][C@H]=[C@H][C@H]=C(C)[C@H]=[C@H][C@H]=C(C)[C@H]=[C@H]C2C(C)=CCCC2(C)C)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
FormulaC40 H56
Name(6'R,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene
ChEMBL
DrugBank
ZINC
PDB chain8wb4 Chain a Residue 413 [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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PDB8wb4 Structure and distinct supramolecular organization of a PSII-ACPII dimer from a cryptophyte alga Chroomonas placoidea.
Resolution2.47 Å
Binding residue
(original residue number in PDB)		L42 T43 V47 I50 A51 A54 L106
Binding residue
(residue number reindexed from 1)		L33 T34 V38 I41 A42 A45 L97
Annotation score1
Enzymatic activity
Enzyme Commision number 1.10.3.9: photosystem II.
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0009055 electron transfer activity
GO:0016168 chlorophyll binding
GO:0016491 oxidoreductase activity
GO:0016682 oxidoreductase activity, acting on diphenols and related substances as donors, oxygen as acceptor
GO:0046872 metal ion binding
Biological Process
GO:0009635 response to herbicide
GO:0015979 photosynthesis
Cellular Component
GO:0009523 photosystem II
GO:0009535 chloroplast thylakoid membrane
GO:0009536 plastid
GO:0009579 thylakoid
GO:0016020 membrane
GO:0042651 thylakoid membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8wb4, PDBe:8wb4, PDBj:8wb4
PDBsum8wb4
PubMed38806516
UniProtA0A222AI41

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