› 1xep

X-ray diffraction
1.55Å resolution

Catechol in complex with T4 lysozyme L99A/M102Q

Released:
DOI: 10.2210/pdb1xep/pdb
PDB entry 1xep coloured by chain, front view.
PDB entry 1xep coloured by chain, side view.
PDB entry 1xep coloured by chain, top view.
Source organism: Escherichia virus T4
Primary publication:
Decoys for docking.
Graves AP, Brenk R, Shoichet BK
J Med Chem 48 3714-28 (2005)
PMID: 15916423

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 domain:

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: 18.62 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 PO4 1 x PO4
Ligand CAQ 1 x CAQ
Ligand BME 1 x BME
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P3221
Unit cell:
a: 60.173Å b: 60.173Å c: 96.564Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.188 0.188 0.219
Expression system: Escherichia coli

Quick links

Citations

7 review citations

Binding of small-molecule ligands to proteins: "what you see" is not always "what you get".
Mobley et al. (2009)
6 more

5 mentions without citation

Predicting Binding Free Energies: Frontiers and Benchmarks.
Mobley et al. (2017)
4 more