5TV3

Crystal structure of the complex of Helicobacter pylori alpha-carbonic anhydrase with (E)-5-(((4-(tert-butyl)phenyl)sulfonyl)imino)-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-sulfonamide

Summary for 5TV3

• Entry DOI: 10.2210/pdb5tv3/pdb
• Related: 5TT3 5TT8 5TUO
• Descriptor: Alpha-carbonic anhydrase, ZINC ION, (5Z)-5-{[(4-tert-butylphenyl)sulfonyl]imino}-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-sulfonamide, ... (5 entities in total)
• Functional Keywords: alpha-carbonic anhydrase, helicobacter pylori, lyase, zinc-metalloenzyme, lyase-lyase inhibitor complex, lyase/lyase inhibitor
• Biological source: Helicobacter pylori (strain ATCC 700392 / 26695)
• Total number of polymer chains: 8
• Total formula weight: 219823.05

Authors

Modak, J.K.,Roujeinikova, A. (deposition date: 2016-11-07, release date: 2017-09-20, Last modification date: 2023-10-04)

• Primary citation: Modak, J.K.,Liu, Y.C.,Supuran, C.T.,Roujeinikova, A.; Structure-Activity Relationship for Sulfonamide Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase.; J. Med. Chem., 59:11098-11109, 2016; PubMed: 28002963; DOI: 10.1021/acs.jmedchem.6b01333

Experimental method

X-RAY DIFFRACTION (2.9 Å)