1S3T

BORATE INHIBITED BACILLUS PASTEURII UREASE CRYSTAL STRUCTURE

Summary for 1S3T

• Entry DOI: 10.2210/pdb1s3t/pdb
• Related: 1IE7 1UBP 2UBP 3UBP 4UBP
• Descriptor: Urease gamma subunit, Urease beta subunit, Urease alpha subunit, ... (7 entities in total)
• Functional Keywords: urease, bacillus pasteurii, nickel, metalloenzyme, borate, hydrolase
• Biological source: Sporosarcina pasteurii; More
• Cellular location: Cytoplasm : P41022 P41021 P41020
• Total number of polymer chains: 3
• Total formula weight: 87102.57

Authors

Benini, S.,Rypniewski, W.R.,Wilson, K.S.,Ciurli, S.,Mangani, S. (deposition date: 2004-01-14, release date: 2004-04-06, Last modification date: 2023-11-15)

Primary citation

Benini, S.,Rypniewski, W.R.,Wilson, K.S.,Mangani, S.,Ciurli, S.
Molecular Details of Urease Inhibition by Boric Acid: Insights into the Catalytic Mechanism.
J.Am.Chem.Soc., 126:3714-3715, 2004

PubMed Abstract: The structure of the complex of urease, a Ni-containing metalloenzyme, with boric acid was determined at 2.10 A resolution. The complex shows the unprecedented binding mode of the competitive inhibitor to the dinuclear metal center, with the B(OH)3 molecule bridging the Ni ions and leaving in place the bridging hydroxide. Boric acid can be considered a substrate analogue of urea, and the structure supports the proposal that the Ni-bridging hydroxide acts as the nucleophile in the enzymatic process of urea hydrolysis.

PubMed: 15038715
DOI: 10.1021/ja049618p

Experimental method

X-RAY DIFFRACTION (2.1 Å)