5ZH2

CRYSTAL STRUCTURE OF PfKRS WITH INHIBITOR CLADO-5

5ZH2 の概要

分子名称Lysine-tRNA ligase, LYSINE, (3R)-6,8-dihydroxy-3-{[(2R,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one, ... (5 entities in total)
機能のキーワードkrs, ligase-ligase inhibitor complex, ligase
由来する生物種Plasmodium falciparum NF54 (Plasmodium falciparum (isolate NF54))
ポリマー鎖数2
分子量合計118643.99
構造登録者
Babbar, P.,Malhotra, N.,Sharma, M.,Harlos, K.,Reddy, D.S.,Manickam, Y.,Sharma, A. (登録日: 2018-03-11, 公開日: 2018-06-27, 最終更新日: 2018-07-25)
主引用文献
Das, P.,Babbar, P.,Malhotra, N.,Sharma, M.,Jachak, G.R.,Gonnade, R.G.,Shanmugam, D.,Harlos, K.,Yogavel, M.,Sharma, A.,Reddy, D.S.
Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite
J. Med. Chem., 61:5664-5678, 2018
PubMed: 29779382 (主引用文献が同じPDBエントリー)
DOI: 10.1021/acs.jmedchem.8b00565
MImport into Mendeley
実験手法
X-RAY DIFFRACTION (2.66 Å)
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構造検証レポート

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.258402.6%3.9%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