4DAF

Crystal structure of B. anthracis DHPS with compound 19

Summary for 4DAF

• Entry DOI: 10.2210/pdb4daf/pdb
• Related: 1TWS 4D8A 4D8Z 4D9P 4DAI 4DB7
• Descriptor: Dihydropteroate Synthase, (2R)-2-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid, SULFATE ION, ... (4 entities in total)
• Functional Keywords: tim barrel, dhps inhibitor, transferase, paba, dhpp, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Bacillus anthracis (anthrax)
• Total number of polymer chains: 2
• Total formula weight: 67038.37

Authors

Hammoudeh, D.,Lee, R.E.,White, S.W. (deposition date: 2012-01-12, release date: 2012-04-04, Last modification date: 2023-09-13)

• Primary citation: Zhao, Y.,Hammoudeh, D.,Yun, M.K.,Qi, J.,White, S.W.,Lee, R.E.; Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.; Chemmedchem, 7:861-870, 2012; PubMed: 22416048; DOI: 10.1002/cmdc.201200049

Experimental method

X-RAY DIFFRACTION (2.501 Å)