Structure of PDB 2p1e Chain A Binding Site BS01

Receptor Information
>2p1e Chain A (length=279) Species: 5671 (Leishmania infantum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRNYCTKTFGSAFSVTVVPTLKDNFSYLINDHTTHTLAAVDVNADYKPIL
TYIEEHLTYTFSTILSTHKHWDHSGGNAKLKAELVPVVVVGGANDSIPAV
TKPVREGDRVQVGDLSVEVIDAPCHTRGHVLYKVQHPQHPNDGVALFTGD
TMFIAGIGAFFEGDEKDMCRAMEKVYHIHKGNDYALDKVTFIFPGHEYTS
GFMTFSEKTFPDRASDDLAFIQAQRAKYAAAVKTGDPSVPSSLAEEKRQN
LFLRVADPAFVAKMNQGNAHALMMYLYNA
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 chain2p1e Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2p1e Catalysis and Structural Properties of Leishmania infantum Glyoxalase II: Trypanothione Specificity and Phylogeny.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D80 H81 D164 H210
Binding residue
(residue number reindexed from 1)		D72 H73 D150 H196
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H76 H78 D80 H81 H139 D164 H210
Catalytic site (residue number reindexed from 1) H68 H70 D72 H73 H125 D150 H196
Enzyme Commision number 3.1.2.6: hydroxyacylglutathione hydrolase.
Gene Ontology
Molecular Function
GO:0004416 hydroxyacylglutathione hydrolase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:2p1e, PDBe:2p1e, PDBj:2p1e
PDBsum2p1e
PubMed18052346
UniProtQ2PYN0

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