› 3ls7

X-ray diffraction
1.98Å resolution

Crystal structure of Thermolysin in complex with Xenon

Released:
DOI: 10.2210/pdb3ls7/pdb
PDB entry 3ls7 coloured by chain, front view.
PDB entry 3ls7 coloured by chain, side view.
PDB entry 3ls7 coloured by chain, top view.
Source organism: Bacillus thermoproteolyticus
Entry authors: Behnen J, Klebe G, Heine A, Brumshtein B

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-133580 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thermolysin Chain: A
Molecule details ›
Chain: A
Length: 316 amino acids
Theoretical weight: 34.36 KDa
Source organism: Bacillus thermoproteolyticus
UniProt:
  • Canonical: P00800 (Residues: 233-548; Coverage: 61%)
Gene name: npr
Sequence domains:
Structure domains:

Ligands and Environments

7 bound ligands:
Ligand XE 1 x XE
Ligand CA 4 x CA
Ligand ZN 1 x ZN
Ligand VAL 1 x VAL
Ligand LYS 1 x LYS
Ligand GOL 6 x GOL
Ligand DMS 1 x DMS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH3R
Spacegroup: P6122
Unit cell:
a: 93.1Å b: 93.1Å c: 130.2Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.176 0.165 0.234

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