Structure of PDB 1y9a Chain A Binding Site BS01

Receptor Information
>1y9a Chain A (length=360) Species: 5759 (Entamoeba histolytica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKGLAMLGIGRIGWIEKKIPECGPLDALVRPLALAPCTSDTHTVWAGAIG
DRHDMILGHEAVGQIVKVGSLVKRLKVGDKVIVPAITPDWGEEESQRGYP
MHSGGMLGGWKFSNFKDGVFSEVFHVNEADANLALLPRDIKPEDAVMLSD
MVTTGFHGAELANIKLGDTVCVIGIGPVGLMSVAGANHLGAGRIFAVGSR
KHCCDIALEYGATDIINYKNGDIVEQILKATDGKGVDKVVIAGGDVHTFA
QAVKMIKPGSDIGNVNYLGEGDNIDIPRSEWGVGMGHKHIHGGLTPGGRV
RMEKLASLISTGKLDTSKLITHRFEGLEKVEDALMLMKNKPADLIKPVVR
IHYDDEDTLH
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 chain1y9a Chain A Residue 1000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1y9a Structure of alcohol dehydrogenase from Entamoeba histolytica.
Resolution1.81 Å
Binding residue
(original residue number in PDB)		C37 H59 D150
Binding residue
(residue number reindexed from 1)		C37 H59 D150
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C37 T38 S39 H42 H59 E60 D89 E92 S95 S103 D150 T154 K346
Catalytic site (residue number reindexed from 1) C37 T38 S39 H42 H59 E60 D89 E92 S95 S103 D150 T154 K346
Enzyme Commision number 1.1.1.80: isopropanol dehydrogenase (NADP(+)).
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0050009 isopropanol dehydrogenase (NADP+) activity
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:1y9a, PDBe:1y9a, PDBj:1y9a
PDBsum1y9a
PubMed16627948
UniProtP35630|ADH1_ENTH1 NADP-dependent isopropanol dehydrogenase (Gene Name=ADH1)

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