Structure of PDB 1fel Chain A Binding Site BS01

Receptor Information
>1fel Chain A (length=174) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ERDCRVSSFRVKENFDKARFAGTWYAMAKKDPEGLFLQDNIVAEFSVDEN
GHMSATAKGRVRLLNNWDVCADMVGTFTDTEDPAKFKMKYWGVASFLQKG
NDDHWIIDTDYETFAVQYSCRLLNLDGTCADSYSFVFARDPSGFSPEVQK
IVRQRQEELCLARQYRLIPHNGYC
Ligand information
Ligand IDFEN
InChIInChI=1S/C26H33NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29)/b9-6+,16-11+,19-8+,20-18+
InChIKeyAKJHMTWEGVYYSE-FXILSDISSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)Nc2ccc(cc2)O)C)C
CACTVS 3.341CC1=C(\C=C\C(C)=C\C=C\C(C)=C\C(=O)Nc2ccc(O)cc2)C(C)(C)CCC1
CACTVS 3.341CC1=C(C=CC(C)=CC=CC(C)=CC(=O)Nc2ccc(O)cc2)C(C)(C)CCC1
ACDLabs 10.04O=C(Nc1ccc(O)cc1)\C=C(\C=C\C=C(\C=C\C2=C(CCCC2(C)C)C)C)C
OpenEye OEToolkits 1.5.0CC1=C(C(CCC1)(C)C)\C=C\C(=C\C=C\C(=C\C(=O)Nc2ccc(cc2)O)\C)\C
FormulaC26 H33 N O2
NameN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE
ChEMBLCHEMBL7301
DrugBankDB05076
ZINCZINC000003871023
PDB chain1fel 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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PDB1fel Crystallographic studies on complexes between retinoids and plasma retinol-binding protein.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		L35 F36 K58 V61 R62 L63 L64 M73 M88 Q98 C174
Binding residue
(residue number reindexed from 1)		L35 F36 K58 V61 R62 L63 L64 M73 M88 Q98 C174
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:1fel, PDBe:1fel, PDBj:1fel
PDBsum1fel
PubMed7961949
UniProtP18902|RET4_BOVIN Retinol-binding protein 4 (Gene Name=RBP4)

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