1U68

DHNA 7,8 DIHYDRONEOPTERIN COMPLEX

Replaces:  1RR5

Summary for 1U68

DescriptorDihydroneopterin aldolase, 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE (2 entities in total)
Functional Keywords7, dhna, 8 dihydroneopterin, lyase
Biological sourceStaphylococcus aureus
Total number of polymer chains1
Total molecular weight14024.87
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 (2.4 Å)
NMR Information
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Structure validation

ClashscoreRamachandran outliersSidechain outliers601.0%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

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Molmil generated image of 1u68
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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 (1u68.pdb1.gz [157.07 KB])