selenol bound carbonic anhydrase Iselenol bound carbonic anhydrase I

Structural highlights

6swm is a 2 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 2.77Å
Ligands:,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

CAH1_HUMAN Reversible hydration of carbon dioxide. Can hydrates cyanamide to urea.[1]

Publication Abstract from PubMed

Stable aryl selenols were obtained through a convenient procedure. Selenols represent a new chemotype acting as carbonic anhydrase inhibitors (CAIs), inhibiting four human isoforms, CAs I, II, VII and the tumor-associated CA IX. X-ray crystallographic, physical and computational studies provided insights into the binding mode of this conceptually new class of CAIs.

Selenols: a new class of carbonic anhydrase inhibitors.,Angeli A, Tanini D, Nocentini A, Capperucci A, Ferraroni M, Gratteri P, Supuran CT Chem Commun (Camb). 2018 Dec 18. doi: 10.1039/c8cc08562e. PMID:30560259[2]

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

See Also

References

  1. Briganti F, Mangani S, Scozzafava A, Vernaglione G, Supuran CT. Carbonic anhydrase catalyzes cyanamide hydration to urea: is it mimicking the physiological reaction? J Biol Inorg Chem. 1999 Oct;4(5):528-36. PMID:10550681
  2. Angeli A, Tanini D, Nocentini A, Capperucci A, Ferraroni M, Gratteri P, Supuran CT. Selenols: a new class of carbonic anhydrase inhibitors. Chem Commun (Camb). 2018 Dec 18. doi: 10.1039/c8cc08562e. PMID:30560259 doi:http://dx.doi.org/10.1039/c8cc08562e

6swm, resolution 2.77Å

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