Structure of PDB 1p0c Chain A Binding Site BS03

Receptor Information
>1p0c 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 IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain1p0c Chain A Residue 1603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1p0c Crystal Structure of the Vertebrate NADP(H)-dependent Alcohol Dehydrogenase (ADH8)
Resolution2.2 Å
Binding residue
(original residue number in PDB)		G1047 G1201 V1202 R1367
Binding residue
(residue number reindexed from 1)		G47 G201 V202 R367
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:1p0c, PDBe:1p0c, PDBj:1p0c
PDBsum1p0c
PubMed12818203
UniProtO57380|ADH8_PELPE NADP-dependent alcohol dehydrogenase (Gene Name=ADH8)

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