› 3zi6

X-ray diffraction
2Å resolution

Structure of thermolysin solved by SAD from data collected by Direct Data Collection (DDC) using the GRob robot goniometer

Released:
DOI: 10.2210/pdb3zi6/pdb
PDB entry 3zi6 coloured by chain, front view.
PDB entry 3zi6 coloured by chain, side view.
PDB entry 3zi6 coloured by chain, top view.
Source organism: Bacillus thermoproteolyticus
Primary publication:
Recent progress in robot-based systems for crystallography and their contribution to drug discovery.
Ferrer JL, Larive NA, Bowler MW, Nurizzo D
Expert Opin Drug Discov 8 835-47 (2013)
PMID: 23656378

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

4 bound ligands:
Ligand VAL 1 x VAL
Ligand LYS 1 x LYS
Ligand ZN 1 x ZN
Ligand CA 4 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-2
Spacegroup: P6122
Unit cell:
a: 92.754Å b: 92.754Å c: 129.224Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.166 0.164 0.204

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Citations

1 review citation

Size does matter! Label-free detection of small molecule-protein interaction.
Fechner et al. (2014)
3 other articles

2 mentions without citation

An approach to creating a more realistic working model from a protein data bank entry.
Brandon et al. (2015)
1 more