› 4r3b

X-ray diffraction
1.37Å resolution

Crystal structure of SHV-1 b-lactamase in complex with 6b-(hydroxymethyl)penicillanic acid sulfone PSR-283A

Released:
DOI: 10.2210/pdb4r3b/pdb
PDB entry 4r3b coloured by chain, front view.
PDB entry 4r3b coloured by chain, side view.
PDB entry 4r3b coloured by chain, top view.
Source organism: Klebsiella pneumoniae
Primary publication:
Detecting a quasi-stable imine species on the reaction pathway of SHV-1 β-lactamase and 6β-(hydroxymethyl)penicillanic acid sulfone.
Che T, Rodkey EA, Bethel CR, Shanmugam S, Ding Z, Pusztai-Carey M, Nottingham M, Chai W, Buynak JD, Bonomo RA, van den Akker F, Carey PR
Biochemistry 54 734-43 (2015)
PMID: 25536850

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-142332 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-lactamase SHV-1 Chain: A
Molecule details ›
Chain: A
Length: 265 amino acids
Theoretical weight: 28.91 KDa
Source organism: Klebsiella pneumoniae
Expression system: Escherichia coli
UniProt:
  • Canonical: P0AD64 (Residues: 22-286; Coverage: 100%)
Gene names: bla, blaSHV-1, shv1
Sequence domains:
Structure domains: DD-peptidase/beta-lactamase superfamily

Ligands and Environments

2 bound ligands:
Ligand MA4 2 x MA4
Ligand 3GE 1 x 3GE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: P212121
Unit cell:
a: 49.238Å b: 55.274Å c: 84.465Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.132 0.13 0.172
Expression system: Escherichia coli

Quick links

Citations

2 review citations

New techniques in antibiotic discovery and resistance: Raman spectroscopy.
Carey et al. (2015)
1 more

2 mentions without citation

Dimethylsulfoniopropionate turnover is linked to the composition and dynamics of the bacterioplankton assemblage during a microcosm phytoplankton bloom.
Pinhassi et al. (2005)
1 more