Structure of PDB 8k5o Chain 3 Binding Site BS02

Receptor Information
>8k5o Chain 3 (length=51) Species: 1052 (Halorhodospira halochloris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MWRIWKVFDPRRILIATALWLIIISLTIHVILMTTERFNWLQGAPAAEYY
S
Ligand information
Ligand IDLYC
InChIInChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
InChIKeyOAIJSZIZWZSQBC-GYZMGTAESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C)/C)C
CACTVS 3.341CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C
OpenEye OEToolkits 1.5.0CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C)C
CACTVS 3.341CC(C)=CCC\C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)CCC=C(C)C
ACDLabs 10.04C(\C=C\C=C(\CC/C=C(\C)C)C)(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(\C)CC\C=C(/C)C)C)C)C)C
FormulaC40 H56
NameLYCOPENE
ChEMBLCHEMBL501174
DrugBankDB11231
ZINCZINC000008214943
PDB chain8k5o Chain 3 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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PDB8k5o Structural insights into the unusual core photocomplex from a triply extremophilic purple bacterium, Halorhodospira halochloris.
Resolution2.42 Å
Binding residue
(original residue number in PDB)		L14 T17 W20 L21 I24 I31
Binding residue
(residue number reindexed from 1)		L14 T17 W20 L21 I24 I31
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0042314 bacteriochlorophyll binding
GO:0046872 metal ion binding
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0030076 light-harvesting complex

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:8k5o, PDBe:8k5o, PDBj:8k5o
PDBsum8k5o
PubMed38411333
UniProtA0A120MZP7

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