1s3t

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BORATE INHIBITED BACILLUS PASTEURII UREASE CRYSTAL STRUCTURE

Structural highlights

1s3t is a 3 chain structure with sequence from Sporosarcina pasteurii. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 2.1Å
Ligands:BO3, CXM, KCX, NI, SO4
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

URE3_SPOPA

Evolutionary Conservation

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

Publication Abstract from PubMed

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.

Molecular details of urease inhibition by boric acid: insights into the catalytic mechanism.,Benini S, Rypniewski WR, Wilson KS, Mangani S, Ciurli S J Am Chem Soc. 2004 Mar 31;126(12):3714-5. PMID:15038715[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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Citations
6 reviews cite this structure
Agronomic efficiency of NBPT as a urease inhibitor: A review.
Cantarella et al. (2018)
5 more
36 other articles
No citations found

See Also

References

  1. ↑ Benini S, Rypniewski WR, Wilson KS, Mangani S, Ciurli S. Molecular details of urease inhibition by boric acid: insights into the catalytic mechanism. J Am Chem Soc. 2004 Mar 31;126(12):3714-5. PMID:15038715 doi:10.1021/ja049618p

Contents


PDB ID 1s3t

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OCA

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