› 6y4i

X-ray diffraction
1.16Å resolution

Structural and Kinetic Evaluation of Phosphoramidate Inhibitors on Thermolysin

Released:
DOI: 10.2210/pdb6y4i/pdb
PDB entry 6y4i coloured by chain, front view.
PDB entry 6y4i coloured by chain, side view.
PDB entry 6y4i coloured by chain, top view.
Source organism: Geobacillus stearothermophilus
Entry authors: Kljajic M, Heine A, Klebe G

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-154956 (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: Geobacillus stearothermophilus
Expression system: Geobacillus stearothermophilus
UniProt:
  • Canonical: P43133 (Residues: 236-551; Coverage: 61%)
Gene names: nprM, nprS
Sequence domains:

Ligands and Environments

5 bound ligands:
Ligand CA 4 x CA
Ligand ZN 1 x ZN
Ligand DMS 4 x DMS
Ligand 0PK 1 x 0PK
Ligand CS 1 x CS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.2
Spacegroup: P6122
Unit cell:
a: 92.612Å b: 92.612Å c: 129.969Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.127 0.126 0.14
Expression system: Geobacillus stearothermophilus

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