› 1tlp

X-ray diffraction
2.3Å resolution

CRYSTALLOGRAPHIC STRUCTURAL ANALYSIS OF PHOSPHORAMIDATES AS INHIBITORS AND TRANSITION-STATE ANALOGS OF THERMOLYSIN

Released:
DOI: 10.2210/pdb1tlp/pdb
PDB entry 1tlp coloured by chain, front view.
PDB entry 1tlp coloured by chain, side view.
PDB entry 1tlp coloured by chain, top view.
Source organism: Bacillus thermoproteolyticus
Primary publication:
Crystallographic structural analysis of phosphoramidates as inhibitors and transition-state analogs of thermolysin.
Tronrud DE, Monzingo AF, Matthews BW
Eur J Biochem 157 261-8 (1986)
PMID: 3709536

Function and Biology Details

Reaction catalysed: 
Preferential cleavage: -|-Leu > -|-Phe.
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133580 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thermolysin Chain: E
Molecule details ›
Chain: E
Length: 316 amino acids
Theoretical weight: 34.36 KDa
Source organism: Bacillus thermoproteolyticus
Expression system: Not provided
UniProt:
  • Canonical: P00800 (Residues: 233-548; Coverage: 61%)
Gene name: npr
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand RDF 1 x RDF
Ligand CA 4 x CA
Ligand ZN 1 x ZN
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: P6122
Unit cell:
a: 94.1Å b: 94.1Å c: 131.4Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.174 not available not available
Expression system: Not provided

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Citations

2 review citations

The thermolysin family (M4) of enzymes: therapeutic and biotechnological potential.
Adekoya et al. (2009)
1 more

10 mentions without citation

MedusaScore: an accurate force field-based scoring function for virtual drug screening.
Yin et al. (2008)
9 more