Structure of PDB 5xr2 Chain C Binding Site BS01

Receptor Information

>5xr2 Chain C (length=295) Species: 158878 (Staphylococcus aureus subsp. aureus Mu50)

NELSKQPTPDKAEDNAFFPSPYSLSQYTAPKTDFDGVEHKGAYKDGKWKV
LMIAAEERYVLLENGKMFSTGNHPVEMLLPLHHLMEAGFDVDVATLSGYP
VKLELWAMPTEDEAVISTYNKLKEKLKQPKKLADVIKNELGPDSDYLSVF
IPGGHAAVVGISESEDVQQTLDWALDNDRFIVTLCHGPAALLSAGLNREK
SPLEGYSVCVFPDSLDEGANIEIGYLPGRLKWLVADLLTKQGLKVVNDDM
TGRTLKDRKLLTGDSPLASNELGKLAVNEMLNAIQNKLEHHHHHH

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: 5xr2 Chain C Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5xr2 Structural and functional studies of SAV0551 fromStaphylococcus aureusas a chaperone and glyoxalase III.
• Resolution: 2.6 Å
• Binding residue (original residue number in PDB): H295 H299
• Binding residue (residue number reindexed from 1): H290 H294
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.2.-
  3.5.1.-
  3.5.1.124: protein deglycase.

Gene Ontology

Molecular Function

• GO:0016787 hydrolase activity
• GO:0016790 thiolester hydrolase activity
• GO:0019172 glyoxalase III activity
• GO:0036524 protein deglycase activity

Biological Process

• GO:0006281 DNA repair
• GO:0019243 methylglyoxal catabolic process to D-lactate via S-lactoyl-glutathione
• GO:0019249 lactate biosynthetic process
• GO:0030091 protein repair

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:5xr2, PDBe:5xr2, PDBj:5xr2
• PDBsum: 5xr2
• PubMed: 29046369
• UniProt: P64312|HCHA_STAAM Protein/nucleic acid deglycase HchA (Gene Name=hchA)