1RSI

DHNA complex with 2-Amino-5-bromo-3-hydroxy-6-phenylpyrimidine

Summary for 1RSI

Related1RR5 1RRI 1RRW 1RRY 1RS2 1RS4 1RSD
DescriptorDihydroneopterin aldolase, 2-AMINO-5-BROMO-6-PHENYLPYRIMIDIN-4-OL (2 entities in total)
Functional Keywords7, dhna, 8-dihydroneopterin aldolase, 2-amino-5-bromo-3-hydroxy-6-phenylpyrimidine, lyase
Biological sourceStaphylococcus aureus
Total number of polymer chains1
Total molecular weight14035.73
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 (2.2 Å)
NMR Information
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Structure validation

ClashscoreRamachandran outliersSidechain outliers90.8%1.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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

Molmil generated image of 1rsi
no rotation
Molmil generated image of 1rsi
rotated about x axis by 90°
Molmil generated image of 1rsi
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 (1rsi.pdb1.gz [157.03 KB])