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: 24650357 DOI: 10.1021/cb500038g PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.772 Å)

Structure validation