› 3t2j

X-ray diffraction
2Å resolution

Tetragonal thermolysin in the presence of betaine

Released:
DOI: 10.2210/pdb3t2j/pdb
PDB entry 3t2j coloured by chain, front view.
PDB entry 3t2j coloured by chain, side view.
PDB entry 3t2j coloured by chain, top view.
Source organism: Bacillus thermoproteolyticus
Primary publication:
The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography.
Marshall H, Venkat M, Seng NS, Cahn J, Juers DH
Acta Crystallogr D Biol Crystallogr 68 69-81 (2012)
PMID: 22194335

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: E
Molecule details ›
Chain: E
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

6 bound ligands:
Ligand CA 4 x CA
Ligand ZN 3 x ZN
Ligand CL 2 x CL
Ligand NA 1 x NA
Ligand BET 6 x BET
Ligand DMS 1 x DMS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: OTHER
Spacegroup: P41212
Unit cell:
a: 96.149Å b: 96.149Å c: 105.099Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.162 0.161 0.188

Quick links

Citations

1 review citation

The impact of structural biology on alkaloid biosynthesis research.
Panjikar et al. (2012)
9 other articles

1 mention without citation

The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography.
Marshall et al. (2012)