Structure of PDB 1kgl Chain A Binding Site BS01

Receptor Information
>1kgl Chain A (length=135) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPVDFNGYWKMLSNENFEEYLRALDVNVALRKIANLLKPDKEIVQDGDHM
IIRTLSTFRNYIMDFQVGKEFEEDLTGIDDRKCMTTVSWDGDKLQCVQKG
EKEGRGWTQWIEGDELHLEMRAEGVTCKQVFKKVH
Ligand information
Ligand IDRTL
InChIInChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
InChIKeyFPIPGXGPPPQFEQ-OVSJKPMPSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=CCO)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
ACDLabs 12.01C1(CCCC(=C1\C=C\C(=C\C=C\C(=C\CO)C)C)C)(C)C
OpenEye OEToolkits 2.0.7CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C
OpenEye OEToolkits 2.0.7CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C
CACTVS 3.385CC(=C\CO)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
FormulaC20 H30 O
NameRETINOL
ChEMBLCHEMBL986
DrugBankDB00162
ZINCZINC000003831417
PDB chain1kgl Chain A Residue 175 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1kgl Structure and Backbone Dynamics of Apo- and Holo-cellular Retinol-binding Protein in Solution.
ResolutionN/A
Binding residue
(original residue number in PDB)		F16 L36 K40 I51 Y60 M62 G76 I77 W106 M119
Binding residue
(residue number reindexed from 1)		F17 L37 K41 I52 Y61 M63 G77 I78 W107 M120
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005504 fatty acid binding
GO:0008289 lipid binding
GO:0016918 retinal binding
GO:0019841 retinol binding
GO:1904768 all-trans-retinol binding
Biological Process
GO:0002138 retinoic acid biosynthetic process
GO:0006776 vitamin A metabolic process
GO:0015908 fatty acid transport
GO:0030852 regulation of granulocyte differentiation
GO:0032526 response to retinoic acid
GO:0033189 response to vitamin A
GO:0042572 retinol metabolic process
GO:0042573 retinoic acid metabolic process
GO:0055088 lipid homeostasis
GO:0080021 response to benzoic acid
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005811 lipid droplet
GO:0005829 cytosol
GO:0044297 cell body

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1kgl, PDBe:1kgl, PDBj:1kgl
PDBsum1kgl
PubMed11934897
UniProtP02696|RET1_RAT Retinol-binding protein 1 (Gene Name=Rbp1)

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