4NIR
Crystal structure of B. anthracis DHPS with compound 6: 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol
Summary for 4NIR
Entry DOI | 10.2210/pdb4nir/pdb |
Related | 4NHV 4NIR 4NL1 |
Descriptor | Dihydropteroate Synthase, SULFATE ION, 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol, ... (4 entities in total) |
Functional Keywords | tim barrel, tim barel, transferase, pterin, paba, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Bacillus anthracis (anthrax, anthrax bacterium) |
Total number of polymer chains | 2 |
Total formula weight | 67556.80 |
Authors | Hammoudeh, D.I.,White, S.W. (deposition date: 2013-11-06, release date: 2014-05-14, Last modification date: 2023-09-20) |
Primary citation | Hammoudeh, D.I.,Date, M.,Yun, M.K.,Zhang, W.,Boyd, V.A.,Viacava Follis, A.,Griffith, E.,Lee, R.E.,Bashford, D.,White, S.W. Identification and characterization of an allosteric inhibitory site on dihydropteroate synthase. Acs Chem.Biol., 9:1294-1302, 2014 Cited by PubMed: 24650357DOI: 10.1021/cb500038g PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.772 Å) |
Structure validation
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