› 6cqs

X-ray diffraction
1.7Å resolution

Sediminispirochaeta smaragdinae SPS-1 metallo-beta-lactamase

Released:
DOI: 10.2210/pdb6cqs/pdb
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Source organism: Sediminispirochaeta smaragdinae DSM 11293
Primary publication:
A Noncanonical Metal Center Drives the Activity of the Sediminispirochaeta smaragdinae Metallo-β-lactamase SPS-1.
Cheng Z, VanPelt J, Bergstrom A, Bethel C, Katko A, Miller C, Mason K, Cumming E, Zhang H, Kimble RL, Fullington S, Bretz SL, Nix JC, Bonomo RA, Tierney DL, Page RC, Crowder MW
Biochemistry 57 5218-5229 (2018)
PMID: 30106565

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-122794 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Metallo-beta-lactamase domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 246 amino acids
Theoretical weight: 27.68 KDa
Source organism: Sediminispirochaeta smaragdinae DSM 11293
Expression system: Escherichia coli
UniProt:
  • Canonical: E1R245 (Residues: 32-276; Coverage: 89%)
Gene name: Spirs_2827
Sequence domains: Metallo-beta-lactamase superfamily

Ligands and Environments

1 bound ligand:
Ligand ZN 3 x ZN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 4.2.2
Spacegroup: P43212
Unit cell:
a: 73.601Å b: 73.601Å c: 108.784Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.177 0.176 0.194
Expression system: Escherichia coli

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Citations

1 review citation

Current trends in drug metabolism and pharmacokinetics.
Li et al. (2019)
5 other articles

3 mentions without citation

Metallo-β-lactamases in the Age of Multidrug Resistance: From Structure and Mechanism to Evolution, Dissemination, and Inhibitor Design.
Bahr et al. (2021)
2 more

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