› 5jwu

X-ray diffraction
1.7Å resolution

T4 Lysozyme L99A/M102Q with 1,2-Dihydro-1,2-azaborine Bound

Released:
DOI: 10.2210/pdb5jwu/pdb
PDB entry 5jwu coloured by chain, front view.
PDB entry 5jwu coloured by chain, side view.
PDB entry 5jwu coloured by chain, top view.
Source organism: Escherichia phage T4
Primary publication:
Hydrogen Bonding of 1,2-Azaborines in the Binding Cavity of T4 Lysozyme Mutants: Structures and Thermodynamics.
Lee H, Fischer M, Shoichet BK, Liu SY
J Am Chem Soc 138 12021-4 (2016)
PMID: 27603116

Function and Biology Details

Reaction catalysed: 
Hydrolysis of (1->4)-beta-linkages between N-acetylmuramic acid and N-acetyl-D-glucosamine residues in a peptidoglycan and between N-acetyl-D-glucosamine residues in chitodextrins
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133020 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Endolysin Chain: A
Molecule details ›
Chain: A
Length: 164 amino acids
Theoretical weight: 18.65 KDa
Source organism: Escherichia phage T4
Expression system: Escherichia coli
UniProt:
  • Canonical: P00720 (Residues: 1-164; Coverage: 100%)
Gene name: E
Sequence domains: Phage lysozyme

Ligands and Environments

2 bound ligands:
Ligand B20 1 x B20
Ligand CL 2 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: P3221
Unit cell:
a: 60.1Å b: 60.1Å c: 96.77Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.227 0.226 0.251
Expression system: Escherichia coli

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Citations

1 review citation

The versatility of boron in biological target engagement.
Diaz et al. (2017)
26 other articles