› 3hh4

X-ray diffraction
1.25Å resolution

New azaborine compounds bind to the T4 lysozyme L99A cavity - Benzene as control

Released:
DOI: 10.2210/pdb3hh4/pdb
PDB entry 3hh4 coloured by chain, front view.
PDB entry 3hh4 coloured by chain, side view.
PDB entry 3hh4 coloured by chain, top view.
Source organism: Escherichia virus T4
Primary publication:
Boron mimetics: 1,2-dihydro-1,2-azaborines bind inside a nonpolar cavity of T4 lysozyme.
Liu L, Marwitz AJ, Matthews BW, Liu SY
Angew Chem Int Ed Engl 48 6817-9 (2009)
PMID: 19688806

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: 18.59 KDa
Source organism: Escherichia virus T4
Expression system: Escherichia coli
UniProt:
  • Canonical: P00720 (Residues: 1-164; Coverage: 100%)
Gene name: E
Sequence domains: Phage lysozyme
Structure domains: Lysozyme

Ligands and Environments

3 bound ligands:
Ligand HED 2 x HED
Ligand PO4 1 x PO4
Ligand BNZ 1 x BNZ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.3
Spacegroup: P3221
Unit cell:
a: 60Å b: 60Å c: 95.65Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.168 0.166 0.192
Expression system: Escherichia coli

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Citations

1 review citation

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

2 mentions without citation

Rapid catalytic template searching as an enzyme function prediction procedure.
Nilmeier et al. (2013)
1 more