Crystal structure of human carbonic anhydrase I in complex with the inhibitor famotidineCrystal structure of human carbonic anhydrase I in complex with the inhibitor famotidine

Structural highlights

6g3v 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.
Ligands:, ,
Activity:Carbonate dehydratase, with EC number 4.2.1.1
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

Famotidine, an antiulcer drug incorporating a sulfamide motif, was investigated as carbonic anhydrase inhibitor (CAI). It acts as a nanomolar inhibitor of several human (hCA II, VI, VII and XII) and Helicobacter pylori CAs. The high resolution X-ray structures of famotidine bound to hCA I and II revealed interesting aspects related to its CA inhibition mechanism, offering the possibility to develop antibacterials with a novel mechanism of action.

Famotidine, an Antiulcer Agent, Strongly Inhibits Helicobacter pylori and Human Carbonic Anhydrases.,Angeli A, Ferraroni M, Supuran CT ACS Med Chem Lett. 2018 Sep 4;9(10):1035-1038. doi:, 10.1021/acsmedchemlett.8b00334. eCollection 2018 Oct 11. PMID:30344913[2]

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

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, Ferraroni M, Supuran CT. Famotidine, an Antiulcer Agent, Strongly Inhibits Helicobacter pylori and Human Carbonic Anhydrases. ACS Med Chem Lett. 2018 Sep 4;9(10):1035-1038. doi:, 10.1021/acsmedchemlett.8b00334. eCollection 2018 Oct 11. PMID:30344913 doi:http://dx.doi.org/10.1021/acsmedchemlett.8b00334

6g3v, resolution 1.69Å

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