Structure of PDB 1fen Chain A Binding Site BS01

Receptor Information
>1fen Chain A (length=176) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ERDCRVSSFRVKENFDKARFAGTWYAMAKKDPEGLFLQDNIVAEFSVDEN
GHMSATAKGRVRLLNNWDVCADMVGTFTDTEDPAKFKMKYWGVASFLQKG
NDDHWIIDTDYETFAVQYSCRLLNLDGTCADSYSFVFARDPSGFSPEVQK
IVRQRQEELCLARQYRLIPHNGYCDG
Ligand information
Ligand IDAZE
InChIInChI=1S/C20H30/c1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6/h7-8,10-11,13-14H,9,12,15H2,1-6H3/b10-8+,14-13+,16-7+,17-11+
InChIKeyIDMGVRDNZFQORW-JWBAUCAFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(CCCC1(C)C)C
CACTVS 3.341CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
OpenEye OEToolkits 1.5.0CC=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C
CACTVS 3.341C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
ACDLabs 10.04C(/C1=C(CCCC1(C)C)C)=C\C(=C\C=C\C(=C\C)C)C
FormulaC20 H30
NameALL-TRANS AXEROPHTHENE
ChEMBLCHEMBL67791
DrugBank
ZINC
PDB chain1fen Chain A Residue 184 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1fen Crystallographic studies on complexes between retinoids and plasma retinol-binding protein.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		L35 F36 L37 F45 A55 M73 H104 G176
Binding residue
(residue number reindexed from 1)		L35 F36 L37 F45 A55 M73 H104 G176
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005501 retinoid binding
GO:0016918 retinal binding
GO:0019841 retinol binding
GO:0034632 retinol transmembrane transporter activity
Biological Process
GO:0034633 retinol transport
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1fen, PDBe:1fen, PDBj:1fen
PDBsum1fen
PubMed7961949
UniProtP18902|RET4_BOVIN Retinol-binding protein 4 (Gene Name=RBP4)

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