Structure of PDB 6s0i Chain A Binding Site BS01

Receptor Information

>6s0i Chain A (length=251) Species: 83333 (Escherichia coli K-12)

MNLNSIPAFDDNYIWVLNDEAGRCLIVDPGDAEPVLNAIAANNWQPEAIF
LTHHHHDHVGGVKELVEKFPQIVVYGPQETQDKGTTQVVKDGETAFVLGH
EFSVIATPGHTLGHICYFSKPYLFCGDTLFSGGCGRLFEGTASQMYQSLK
KLSALPDDTLVCCAHEYTLSNMKFALSILPHDLSINDYYRKVKELRAKNQ
ITLPVILKNERQINVFLRTEDIDLINVINEETLLQQPEERFAWLRSKKDR
F

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 6s0i Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6s0i Crystal structure of Escherichia coli Glyoxalase II
• Resolution: 1.803 Å
• Binding residue (original residue number in PDB): H58 D127 H165
• Binding residue (residue number reindexed from 1): H58 D127 H165
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H53 H55 D57 H58 H110 D127 H165
• Catalytic site (residue number reindexed from 1): H53 H55 D57 H58 H110 D127 H165
• Enzyme Commision number: 3.1.2.6: hydroxyacylglutathione hydrolase.

Gene Ontology

Molecular Function

• GO:0004416 hydroxyacylglutathione hydrolase activity
• GO:0008270 zinc ion binding
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0009408 response to heat
• GO:0009636 response to toxic substance
• GO:0019243 methylglyoxal catabolic process to D-lactate via S-lactoyl-glutathione

External links

• PDB: RCSB:6s0i, PDBe:6s0i, PDBj:6s0i
• PDBsum: 6s0i
• UniProt: P0AC84|GLO2_ECOLI Hydroxyacylglutathione hydrolase GloB (Gene Name=gloB)