1RS4

DHNA, 7,8-Dihydroneopterin Aldolase complexed with 3-(5-Amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(3,5-dichlorobenzyl)-benzamide

Summary for 1RS4

Entry DOI	10.2210/pdb1rs4/pdb
Related	1RR5 1RRI 1RRW 1RRY 1RS2 1RSD 1RSI
Descriptor	Dihydroneopterin aldolase, 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-(3,5-DICHLOROBENZYL)-BENZAMIDE (2 entities in total)
Functional Keywords	dhna, 7, 8-dihydroneopterin-(5-amino-7-hydroxy-[1, 2, 3]triazolo[4, 5-d]pyrimidin-2-yl)-n-(3, 5-dichlorobenzyl)-benzamide aldolase, lyase
Biological source	Staphylococcus aureus
Total number of polymer chains	1
Total formula weight	14199.88
Authors	Sanders, W.J.,Nienaber, V.L.,Lerner, C.G.,McCall, J.O.,Merrick, S.M.,Swanson, S.J.,Harlan, J.E.,Stoll, V.S.,Stamper, G.F.,Betz, S.F.,Condroski, K.R.,Meadows, R.P.,Severin, J.M.,Walter, K.A.,Magdalinos, P.,Jakob, C.G.,Wagner, R.,Beutel, B.A. (deposition date: 2003-12-09, release date: 2004-03-30, Last modification date: 2024-02-14)
Primary citation	Sanders, W.J.,Nienaber, V.L.,Lerner, C.G.,McCall, J.O.,Merrick, S.M.,Swanson, S.J.,Harlan, J.E.,Stoll, V.S.,Stamper, G.F.,Betz, S.F.,Condroski, K.R.,Meadows, R.P.,Severin, J.M.,Walter, K.A.,Magdalinos, P.,Jakob, C.G.,Wagner, R.,Beutel, B.A. Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization. J.Med.Chem., 47:1709-1718, 2004 Cited by PubMed: 15027862 DOI: 10.1021/jm030497y PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.7 Å)

Structure validation