4D9P

Crystal structure of B. anthracis DHPS with compound 17

Summary for 4D9P

Entry DOI	10.2210/pdb4d9p/pdb
Related	1TWS 4D8A 4D8Z 4DAF 4DAI 4DB7
Descriptor	Dihydropteroate Synthase, SULFATE ION, (3R)-3-(7-amino-1-methyl-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid, ... (4 entities in total)
Functional Keywords	tim barrel, transferase, dhps inhibitors, paba, pterin, dhpp, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Bacillus anthracis (anthrax)
Total number of polymer chains	2
Total formula weight	67286.60
Authors	Hammoudeh, D.,Lee, R.E.,White, S.W. (deposition date: 2012-01-11, release date: 2012-03-28, 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 Cited by PubMed: 22416048 DOI: 10.1002/cmdc.201200049 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.26 Å)

Structure validation