Structure of PDB 1mx8 Chain A Binding Site BS01

Receptor Information
>1mx8 Chain A (length=134) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVDFNGYWKMLSNENFEEYLRALDVNVALRKIANLLKPDKEIVQDGDHMI
IRTLSTFRNYIMDFQVGKEFEEDLTGIDDRKCMTTVSWDGDKLQCVQKGE
KEGRGWTQWIEGDELHLEMRAEGVTCKQVFKKVH
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 chain1mx8 Chain A Residue 135 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1mx8 Two homologous rat cellular retinol-binding proteins differ in local conformational flexibility.
ResolutionN/A
Binding residue
(original residue number in PDB)		M62 I77 W106
Binding residue
(residue number reindexed from 1)		M62 I77 W106
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:1mx8, PDBe:1mx8, PDBj:1mx8
PDBsum1mx8
PubMed12850148
UniProtP02696|RET1_RAT Retinol-binding protein 1 (Gene Name=Rbp1)

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