› 6k4t

X-ray diffraction
1.39Å resolution

Crystal structure of SMB-1 metallo-beta-lactamase in a complex with TSA

Released:
DOI: 10.2210/pdb6k4t/pdb
PDB entry 6k4t coloured by chain, front view.
PDB entry 6k4t coloured by chain, side view.
PDB entry 6k4t coloured by chain, top view.
Source organism: Serratia marcescens
Primary publication:
4-Amino-2-Sulfanylbenzoic Acid as a Potent Subclass B3 Metallo-β-Lactamase-Specific Inhibitor Applicable for Distinguishing Metallo-β-Lactamase Subclasses.
Wachino JI, Kanechi R, Nishino E, Mochizuki M, Jin W, Kimura K, Kurosaki H, Arakawa Y
Antimicrob Agents Chemother 63 (2019)
PMID: 31405855

Function and Biology Details

Reaction catalysed: 
A beta-lactam + H(2)O = a substituted beta-amino acid
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-124534 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Metallo-beta-lactamase domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 262 amino acids
Theoretical weight: 27.75 KDa
Source organism: Serratia marcescens
Expression system: Escherichia coli
UniProt:
  • Canonical: G5ELM3 (Residues: 19-280; Coverage: 100%)
Gene name: SMB-1
Sequence domains: Metallo-beta-lactamase superfamily

Ligands and Environments

4 bound ligands:
Ligand ZN 2 x ZN
Ligand JKE 1 x JKE
Ligand SO4 3 x SO4
Ligand TRS 2 x TRS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AichiSR BEAMLINE BL2S1
Spacegroup: P1
Unit cell:
a: 37.04Å b: 41.59Å c: 45.55Å
α: 108.6° β: 102.75° γ: 106.06°
R-values:
R R work R free
0.148 0.147 0.17
Expression system: Escherichia coli

Quick links

Citations

5 citation in other articles

Carbapenem Use Is Driving the Evolution of Imipenemase 1 Variants.
Cheng et al. (2021)
4 more

1 mention without citation

4-Amino-2-Sulfanylbenzoic Acid as a Potent Subclass B3 Metallo-β-Lactamase-Specific Inhibitor Applicable for Distinguishing Metallo-β-Lactamase Subclasses.
Wachino et al. (2019)