Structure of PDB 2c21 Chain D Binding Site BS01

Receptor Information
>2c21 Chain D (length=139) Species: 5664 (Leishmania major) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRRMLHTMIRVGDLDRSIKFYTERLGMKVLRKWDVPEDKYTLVFLGYGPE
MSSTVLELTYNYGVTSYKHDEAYGHIAIGVEDVKELVADMRKHDVPIDYE
DESGFMAFVVDPDGYYIELLNEKTMMEKAEADMKEQGTA
Ligand information
Ligand IDNI
InChIInChI=1S/Ni/q+2
InChIKeyVEQPNABPJHWNSG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ni++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ni+2]
FormulaNi
NameNICKEL (II) ION
ChEMBL
DrugBankDB14204
ZINC
PDB chain2c21 Chain C Residue 1142 [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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PDB2c21 Specificity of the Trypanothione-Dependent Leishmania Major Glyoxalase I: Structure and Biochemical Comparison with the Human Enzyme.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H77 E120
Binding residue
(residue number reindexed from 1)		H75 E118
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H8 E59 H77 E120
Catalytic site (residue number reindexed from 1) H6 E57 H75 E118
Enzyme Commision number 4.4.1.5: lactoylglutathione lyase.
Gene Ontology
Molecular Function
GO:0004462 lactoylglutathione lyase activity
GO:0016829 lyase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:2c21, PDBe:2c21, PDBj:2c21
PDBsum2c21
PubMed16430697
UniProtQ68RJ8

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