Structure of PDB 4ciz Chain A Binding Site BS01

Receptor Information
>4ciz Chain A (length=284) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EQLTTKDHGPVFGPCSQLPRHTLQKAKDELNEREETREEAVRELQEMVQA
QAASGEELAVAVAERVQEKDSGFFLRFIRARKFNVGRAYELLRGYVNFRL
QYPELFDSLSPEAVRCTIEAGYPGVLSSRDKYGRVVMLFNIENWQSQEIT
FDEILQAYCFILEKLLENEETQINGFCIIENFKGFTMQQAASLRTSDLRK
MVDMLQDSFPARFKAIHFIHQPWYFTTTYNVVKPFLKSKLLERVFVHGDD
LSGFYQEIDENILPSDFGGTLPKYDGKAVAEQLF
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 chain4ciz 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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PDB4ciz Human Cellular Retinaldehyde-Binding Protein Has Secondary Thermal 9-Cis-Retinal Isomerase Activity.
Resolution3.403 Å
Binding residue
(original residue number in PDB)		F204 M223 V224 V254
Binding residue
(residue number reindexed from 1)		F182 M201 V202 V232
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=7.29,Kd~51nM
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:4ciz, PDBe:4ciz, PDBj:4ciz
PDBsum4ciz
PubMed24328211
UniProtP12271|RLBP1_HUMAN Retinaldehyde-binding protein 1 (Gene Name=RLBP1)

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