Structure of PDB 1p0f Chain A Binding Site BS01

Receptor Information
>1p0f Chain A (length=372) Species: 8403 (Pelophylax perezi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CTAGKDITCKAAVAWEPHKPLSLETITVAPPKAHEVRIKILASGICGSDS
SVLKEIIPSKFPVILGHEAVGVVESIGAGVTCVKPGDKVIPLFVPQCGSC
RACKSSNSNFCEKNDMGAKTGLMADMTSRFTCRGKPIYNLMGTSTFTEYT
VVADIAVAKIDPKAPLESCLIGCGFATGYGAAVNTAKVTPGSTCAVFGLG
GVGFSAIVGCKAAGASRIIGVGTHKDKFPKAIELGATECLNPKDYDKPIY
EVICEKTNGGVDYAVECAGRIETMMNALQSTYCGSGVTVVLGLASPNERL
PLDPLLLLTGRSLKGSVFGGFKGEEVSRLVDDYMKKKINVNFLVSTKLTL
DQINKAFELLSSGQGVRSIMIY
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1p0f Chain A Residue 1502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1p0f Crystal structure of the vertebrate NADP(H)-dependent alcohol dehydrogenase (ADH8)
Resolution1.8 Å
Binding residue
(original residue number in PDB)		C1046 H1067 C1173
Binding residue
(residue number reindexed from 1)		C46 H67 C173
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.2: alcohol dehydrogenase (NADP(+)).
Gene Ontology
Molecular Function
GO:0004745 all-trans-retinol dehydrogenase (NAD+) activity
GO:0008106 alcohol dehydrogenase (NADP+) activity
GO:0008270 zinc ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0042572 retinol metabolic process
GO:0042573 retinoic acid metabolic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1p0f, PDBe:1p0f, PDBj:1p0f
PDBsum1p0f
PubMed12818203
UniProtO57380|ADH8_PELPE NADP-dependent alcohol dehydrogenase (Gene Name=ADH8)

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