› 1ubp

X-ray diffraction
1.65Å resolution

CRYSTAL STRUCTURE OF UREASE FROM BACILLUS PASTEURII INHIBITED WITH BETA-MERCAPTOETHANOL AT 1.65 ANGSTROMS RESOLUTION

Released:
DOI: 10.2210/pdb1ubp/pdb
PDB entry 1ubp coloured by chain, front view.
PDB entry 1ubp coloured by chain, side view.
PDB entry 1ubp coloured by chain, top view.
Source organism: Sporosarcina pasteurii
Primary publication:
The complex of Bacillus pasteurii urease with beta-mercaptoethanol from X-ray data at 1.65-A resolution
Benini S, Rypniewski WR, Wilson KS, Ciurli S, Mangani S
J. Biol. Inorg. Chem. 3 268-273 (1998)

Function and Biology Details

Reaction catalysed: 
Urea + H(2)O = CO(2) + 2 NH(3)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
hetero nonamer (preferred)
PDBe Complex ID:
PDB-CPX-154232 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Urease subunit gamma Chain: A
Molecule details ›
Chain: A
Length: 100 amino acids
Theoretical weight: 11.2 KDa
Source organism: Sporosarcina pasteurii
UniProt:
  • Canonical: P41022 (Residues: 1-100; Coverage: 100%)
Gene name: ureA
Sequence domains: Urease, gamma subunit
Structure domains: Urease, gamma-like subunit
Urease subunit beta Chain: B
Molecule details ›
Chain: B
Length: 122 amino acids
Theoretical weight: 13.53 KDa
Source organism: Sporosarcina pasteurii
UniProt:
  • Canonical: P41021 (Residues: 5-126; Coverage: 97%)
Gene name: ureB
Sequence domains: Urease beta subunit
Structure domains: Urease, beta subunit
Urease subunit alpha Chain: C
Molecule details ›
Chain: C
Length: 570 amino acids
Theoretical weight: 61.65 KDa
Source organism: Sporosarcina pasteurii
UniProt:
  • Canonical: P41020 (Residues: 1-27, 29-34, 35-570; Coverage: 100%)
Gene names: NCTC4822_02163, ureC
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand NI 2 x NI
Ligand BME 2 x BME
2 modified residues:
Ligand CXM 1 x CXM
Ligand KCX 1 x KCX

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE BW7B
Spacegroup: P6322
Unit cell:
a: 131.343Å b: 131.343Å c: 190.013Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.158 0.158 not available

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