1RS2

DHNA complex with 8-Amino-1,3-dimethyl-3,7-dihydropurine-2,6-dione

Summary for 1RS2

Related1RR5 1RRI 1RRW 1RRY 1RS4 1RSD 1RSI
DescriptorDihydroneopterin aldolase, 8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6-DIONE (3 entities in total)
Functional Keywords7, dhna, 8-dihydroneop8-amino-1, 3-dimethyl-3, 7-dihydropurine-2, 6-dioneterin aldolase, lyase
Biological sourceStaphylococcus aureus
Total number of polymer chains1
Total molecular weight13964.81
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 (2.31 Å)
NMR Information
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Structure validation

ClashscoreRamachandran outliersSidechain outliers180.8%6.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 1rs2
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Molmil generated image of 1rs2
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Molmil generated image of 1rs2
rotated about y axis by 90°

More Biological unit images

Molmil generated image of 1rs2
no rotation
Molmil generated image of 1rs2
rotated about x axis by 90°
Molmil generated image of 1rs2
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 (1rs2.pdb1.gz [158.63 KB])