› 4c3q

Neutron Diffraction
2.2Å resolution

Neutron structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB) at 100K

Released:
DOI: 10.2210/pdb4c3q/pdb
PDB entry 4c3q coloured by chain, front view.
PDB entry 4c3q coloured by chain, side view.
PDB entry 4c3q coloured by chain, top view.
Source organism: Escherichia coli BL21
Primary publication:
Cryogenic Neutron Protein Crystallography: Routine Methods and Potential Benefits
Coates L, Tomanicek SJ, Schrader T, Weiss KL, Ng JD, Ostermann A
J Appl Crystallogr 47 (2014)

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-175211 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-lactamase Toho-1 Chain: A
Molecule details ›
Chain: A
Length: 261 amino acids
Theoretical weight: 28.1 KDa
Source organism: Escherichia coli BL21
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q47066 (Residues: 31-291; Coverage: 100%)
Gene name: bla
Sequence domains:
Structure domains: DD-peptidase/beta-lactamase superfamily

Ligands and Environments

2 bound ligands:
Ligand BZB 1 x BZB
Ligand DOD 125 x DOD
No modified residues

Experiments and Validation Details

Spacegroup: P3221
Unit cell:
a: 72.889Å b: 72.889Å c: 98.189Å α: 90° β: 90° γ: 120°
R-values:
R R work R free 0.194 0.192 0.24
Expression system: Escherichia coli BL21

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