Structure of PDB 4cj6 Chain A Binding Site BS01

Receptor Information
>4cj6 Chain A (length=250) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ETREEAVRELQEMVQAQAASGEELAVAVAERVQEKDSGFFLRFIRARKFN
VGRAYELLRGYVNFRLQYPELFDSLSPEAVRCTIEAGYPGVLSSRDKYGR
VVMLFNIENWQSQEITFDEILQAYCFILEKLLENEETQINGFCIIENFKG
FTMQQAASLRTSDLRKMVDMLQDSFPAWFKAIHFIHQPWYFTTTYNVVKP
FLKSKLLERVFVHGDDLSGFYQEIDENILPSDFGGTLPKYDGKAVAEQLF
Ligand information
Ligand IDRET
InChIInChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
InChIKeyNCYCYZXNIZJOKI-OVSJKPMPSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CC(=C\C=O)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
ACDLabs 12.01O=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)C)C
OpenEye OEToolkits 1.7.0CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C
OpenEye OEToolkits 1.7.0CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C
CACTVS 3.370CC(=CC=O)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
FormulaC20 H28 O
NameRETINAL
ChEMBLCHEMBL81379
DrugBank
ZINCZINC000004228262
PDB chain4cj6 Chain A Residue 1307 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4cj6 Human Cellular Retinaldehyde-Binding Protein Has Secondary Thermal 9-Cis-Retinal Isomerase Activity.
Resolution1.896 Å
Binding residue
(original residue number in PDB)		F161 W166 F173 M223 V224 F240
Binding residue
(residue number reindexed from 1)		F105 W110 F117 M167 V168 F184
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005502 11-cis retinal binding
GO:0005515 protein binding
GO:0019841 retinol binding
GO:1902936 phosphatidylinositol bisphosphate binding
Biological Process
GO:0006776 vitamin A metabolic process
GO:0007601 visual perception
Cellular Component
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005813 centrosome
GO:0005829 cytosol
GO:0044297 cell body

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4cj6, PDBe:4cj6, PDBj:4cj6
PDBsum4cj6
PubMed24328211
UniProtP12271|RLBP1_HUMAN Retinaldehyde-binding protein 1 (Gene Name=RLBP1)

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