4DAI

Crystal structure of B. anthracis DHPS with compound 23

Summary for 4DAI

Entry DOI	10.2210/pdb4dai/pdb
Related	1TWS 4D8A 4D8Z 4D9P 4DAF 4DB7
Descriptor	Dihydropteroate Synthase, (7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)acetic acid, SULFATE ION, ... (4 entities in total)
Functional Keywords	paba, dhpp, pterin, dhps inhibitors, tim barrel, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Bacillus anthracis (anthrax)
Total number of polymer chains	2
Total formula weight	67106.38
Authors	Hammoudeh, D.,Lee, R.E.,White, S.W. (deposition date: 2012-01-12, 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 (2.5 Å)

Structure validation