Structure of PDB 1p0c Chain B Binding Site BS01

Receptor Information
>1p0c Chain B (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 chain1p0c Chain B Residue 2501 [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)		C2097 C2100 C2103 C2111
Binding residue
(residue number reindexed from 1)		C97 C100 C103 C111
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C2046 G2047 S2048 S2051 H2067 E2068 C2097 C2100 C2103 C2111 D2115 C2173 T2177 R2367
Catalytic site (residue number reindexed from 1) C46 G47 S48 S51 H67 E68 C97 C100 C103 C111 D115 C173 T177 R367
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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