Structure of PDB 2bhw Chain C Binding Site BS03

Receptor Information
>2bhw Chain C (length=223) Species: 3888 (Pisum sativum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASSGSPWYGPDRVKYLGPFSGESPSYLTGEFPGDYGWDTAGLSADPETFS
KNRELEVIHSRWAMLGALGSVFPELLSRNGVKFGEAVWFKAGSQIFSEGG
LDYLGNPSLVHAQSILAIWATQVILMGAVEGYRIAGGPLGEVVDPLYPGG
SFDPLGLADDPEAFAELKVKELKNGRLAMFSMFGFFVQAIVTGKGPLENL
ADHLADPVNNNAWSYATNFVPGK
Ligand information
Ligand IDLUX
InChIInChI=1S/C40H72O2/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/h21,23,26,29-32,35-36,38,41-42H,11-20,22,24-25,27-28H2,1-10H3/b23-21+/t29-,30+,31-,32?,35+,36-,38?/m1/s1
InChIKeyOXVWOOPFXSSEKV-SQYYBNMASA-N
SMILES
SoftwareSMILES
ACDLabs 10.04OC2CC(=C(/C=C/C(C)CCCC(C)CCCCC(C)CCCC(C)CCC1C(=CC(O)CC1(C)C)C)C(C)(C)C2)C
CACTVS 3.341C[CH](CCCC[CH](C)CCC[CH](C)C=CC1=C(C)C[CH](O)CC1(C)C)CCC[CH](C)CC[CH]2C(=C[CH](O)CC2(C)C)C
OpenEye OEToolkits 1.5.0CC1=C(C(C[C@H](C1)O)(C)C)\C=C\C(C)CCCC(C)CCCCC(C)CCCC(C)CCC2C(=C[C@H](CC2(C)C)O)C
CACTVS 3.341C[C@@H](CCCC[C@@H](C)CCC[C@@H](C)/C=C/C1=C(C)C[C@H](O)CC1(C)C)CCC[C@@H](C)CC[C@H]2C(=C[C@@H](O)CC2(C)C)C
OpenEye OEToolkits 1.5.0CC1=C(C(CC(C1)O)(C)C)C=CC(C)CCCC(C)CCCCC(C)CCCC(C)CCC2C(=CC(CC2(C)C)O)C
FormulaC40 H72 O2
Name(3R,3'R,6'S,9R,9'R,13R,13'S)-4',5'-DIDEHYDRO-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'-OCTADECAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL
ChEMBL
DrugBank
ZINC
PDB chain2bhw Chain C Residue 502 [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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PDB2bhw Mechanisms of Photoprotection and Nonphotochemical Quenching in Pea Light-Harvesting Complex at 2.5 A Resolution.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		W46 D47 A49 H68 G75 W97 M188
Binding residue
(residue number reindexed from 1)		W37 D38 A40 H59 G66 W88 M179
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0009765 photosynthesis, light harvesting
Cellular Component
GO:0016020 membrane

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2bhw, PDBe:2bhw, PDBj:2bhw
PDBsum2bhw
PubMed15719016
UniProtP07371|CB22_PEA Chlorophyll a-b binding protein AB80, chloroplastic (Gene Name=AB80)

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