› 4w53

X-ray diffraction
1.56Å resolution

T4 Lysozyme L99A with Toluene Bound

Released:
DOI: 10.2210/pdb4w53/pdb
PDB entry 4w53 coloured by chain, front view.
PDB entry 4w53 coloured by chain, side view.
PDB entry 4w53 coloured by chain, top view.
Source organism: Escherichia virus T4
Primary publication:
Homologous ligands accommodated by discrete conformations of a buried cavity.
Merski M, Fischer M, Balius TE, Eidam O, Shoichet BK
Proc Natl Acad Sci U S A 112 5039-44 (2015)
PMID: 25847998

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: 172 amino acids
Theoretical weight: 19.69 KDa
Source organism: Escherichia virus T4
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P00720 (Residues: 1-164; Coverage: 100%)
Gene name: E
Sequence domains: Phage lysozyme
Structure domains: Lysozyme

Ligands and Environments

2 bound ligands:
Ligand MBN 1 x MBN
Ligand EPE 1 x EPE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: P3221
Unit cell:
a: 60.34Å b: 60.34Å c: 96.97Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.175 0.174 0.205
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Water Determines the Structure and Dynamics of Proteins.
Bellissent-Funel et al. (2016)
18 other articles

9 mentions without citation

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