Structure of PDB 2oui Chain C Binding Site BS01

Receptor Information
>2oui Chain C (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
QAVKMIKPGSDIGNVNYLGEGDNIPIPRSEWGVGMGHKHIHGGLTPGGRV
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 chain2oui Chain C Residue 361 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2oui Thermal stabilization of the protozoan Entamoeba histolytica alcohol dehydrogenase by a single proline substitution.
Resolution1.77 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

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:2oui, PDBe:2oui, PDBj:2oui
PDBsum2oui
PubMed18260103
UniProtP35630|ADH1_ENTH1 NADP-dependent isopropanol dehydrogenase (Gene Name=ADH1)

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