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

1RSD の概要

関連するPDBエントリー1RS4 1RS2 1RRI 1RRY 1RRW 1RR5 1RSI
分子名称Dihydroneopterin 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)
機能のキーワード2, 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
由来する生物種Staphylococcus aureus
ポリマー鎖数1
分子量合計14269.18
構造登録者
主引用文献
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 (主引用文献が同じPDBエントリー)
DOI: 10.1021/jm030497y
MImport into Mendeley
実験手法
X-RAY DIFFRACTION (2.5 Å)
NMR情報
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構造検証レポート

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