1RS4

DHNA, 7,8-Dihydroneopterin Aldolase complexed with 3-(5-Amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(3,5-dichlorobenzyl)-benzamide

1RS4 の概要

関連するPDBエントリー1RS2 1RRI 1RRY 1RRW 1RSD 1RSI 1RR5
分子名称Dihydroneopterin aldolase, 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-(3,5-DICHLOROBENZYL)-BENZAMIDE (2 entities in total)
機能のキーワード2, 7, dhna, 8-dihydroneopterin-(5-amino-7-hydroxy-[1, 3]triazolo[4, 5-d]pyrimidin-2-yl)-n-(3, 5-dichlorobenzyl)-benzamide aldolase, lyase
由来する生物種Staphylococcus aureus
ポリマー鎖数1
分子量合計14199.88
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 (2.7 Å)
NMR情報
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構造検証レポート

ClashscoreRamachandran outliersSidechain outliers701.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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