1RRI

DHNA complex with 3-(5-amino-7-hydroxy-[1,2,3] triazolo [4,5-d]pyrimidin-2-yl)-benzoic acid

Summary for 1RRI

Related1RR5 1RRW 1RRY 1RS2 1RS4 1RSD 1RSI
DescriptorDihydroneopterin aldolase, 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-BENZOIC ACID (2 entities in total)
Functional Keywords2, dhna complex with 3-(5-amino-7-hydroxy-[1, 3] triazolo [4, 5-d]pyrimidin-2-yl)-benzoic acid, lyase
Biological sourceStaphylococcus aureus
Total number of polymer chains1
Total molecular weight14041.86
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 Å)
NMR Information
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Structure validation

ClashscoreRamachandran outliersSidechain outliers50.8%1.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 1rri
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Molmil generated image of 1rri
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Molmil generated image of 1rri
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More Biological unit images

Molmil generated image of 1rri
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Molmil generated image of 1rri
rotated about x axis by 90°
Molmil generated image of 1rri
rotated about y axis by 90°
(*)In the case of coarse surface representation, the asymmetric unit is shown as red ribbon representation.
Coordinate files for Biological unit (1rri.pdb1.gz [158.5 KB])