1RSD

DHNA complex with 3-(5-Amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-[2-(2-hydroxymethyl-phenylsulfanyl)-benzyl]-benzamide

Summary for 1RSD

Related1RS4 1RS2 1RRI 1RRY 1RRW 1RR5 1RSI
DescriptorDihydroneopterin aldolase, 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-[2-(2-(HYDROXYMETHYL-PHENYLSULFANYL)-BENZYL]-BENZAMIDE (2 entities in total)
Functional Keywords2, 7, dhna, 8-dihydroneopterin aldolase, 3-(5-amino-7-hydroxy-[1, 3]triazolo[4, 5-d]pyrimidin-2-yl)-n-[2-(2-hydroxymethyl-phenylsulfanyl)-benzyl]-benzamide, lyase
Biological sourceStaphylococcus aureus
Total number of polymer chains1
Total molecular weight14269.18
Authors
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
PubMed: 15027862 (PDB entries with the same primary citation)
DOI: 10.1021/jm030497y
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.5 Å)
NMR Information
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Structure validation

ClashscoreRamachandran outliersSidechain outliers100.8%1.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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More Biological unit images

Molmil generated image of 1rsd
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Molmil generated image of 1rsd
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Molmil generated image of 1rsd
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(*)In the case of coarse surface representation, the asymmetric unit is shown as red ribbon representation.
Coordinate files for Biological unit (1rsd.pdb1.gz [161.48 KB])