Structure of PDB 4mtt Chain B Binding Site BS02

Receptor Information
>4mtt Chain B (length=127) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRILHSMLRVADLEAALEFYTRALDMRLLRRRDYPEGRFTLAFVGYQDER
AAAALELTHNWDRDGYTQGDGYGHLAIEVEDAAVTCARARALGYRVTREA
GLMQHGRSVIAFLEDPDGYKVELIQKG
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 chain4mtt Chain B Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4mtt The crystal structure of a homodimeric Pseudomonas glyoxalase I enzyme reveals asymmetric metallation commensurate with half-of-sites activity.
Resolution2.17 Å
Binding residue
(original residue number in PDB)
H105 E122
Binding residue
(residue number reindexed from 1)
H105 E122
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H5 E56 H74 E122
Catalytic site (residue number reindexed from 1) H5 E56 H74 E122
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
Biological Process
GO:0019243 methylglyoxal catabolic process to D-lactate via S-lactoyl-glutathione
Cellular Component
GO:0005737 cytoplasm

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Cellular Component
External links
PDB RCSB:4mtt, PDBe:4mtt, PDBj:4mtt
PDBsum4mtt
PubMed25411134
UniProtQ9I5L8

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