2XCN

Crystal structure of HCV NS3 protease with a boronate inhibitor

2XCN の概要

関連するPDBエントリー2XCF 2A4Q 2F9U 2A4R
分子名称NS3 PROTEASE, NS4A, N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDE, ... (6 entities in total)
機能のキーワードhydrolase, serine protease
由来する生物種HEPATITIS C VIRUS
ポリマー鎖数4
分子量合計48164.33
構造登録者
主引用文献
Li, X.,Zhang, Y.-K.,Liu, Y.,Ding, C.Z.,Li, Q.,Zhou, Y.,Plattner, J.J.,Baker, S.J.,Qian, X.,Fan, D.,Liao, L.,Ni, Z.-J.,White, G.V.,Mordaunt, J.E.,Lazarides, L.X.,Slater, M.J.,Jarvest, R.L.,Edge, C.M.,Hubbard, J.A.,Nassau, P.,Mcdowell, B.,Skarzynski, T.J.,Thommes, P.,Ellis, M.,Rowland, P.,Somers, D.O.,Kazmierski, W.M.,Grimes, R.M.,Wright, L.L.,Smith, G.K.,Zou, W.,Wright, J.,Pennicott, L.E.
Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
Bioorg.Med.Chem.Lett., 20:3550-, 2010
PubMed: 20493689 (主引用文献が同じPDBエントリー)
DOI: 10.1016/J.BMCL.2010.04.129
MImport into Mendeley
実験手法
X-RAY DIFFRACTION (3.02 Å)
NMR情報
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構造検証レポート

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.2328013.0%0.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
検証レポート(詳細版)をダウンロード

他の静止画像(非対称単位)

Molmil generated image of 2xcn
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Molmil generated image of 2xcn
x軸(左右方向)周りに90°回転
Molmil generated image of 2xcn
y軸(上下方向)周りに90°回転