6D1A

Crystal structure of NDM-1 complexed with compound 1

6D1A の概要

分子名称Metallo-beta-lactamase type 2, ZINC ION, [(6,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid, ... (5 entities in total)
機能のキーワードbeta-lactamase, carbapenemase, phosphonate, inhibitor, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
由来する生物種Klebsiella pneumoniae
ポリマー鎖数1
分子量合計25119.79
構造登録者
Pemberton, O.A.,Chen, Y. (登録日: 2018-04-11, 公開日: 2019-04-17)
主引用文献
Pemberton, O.A.,Jaishankar, P.,Renslo, A.R.,Chen, Y.
A conserved substrate envelope in serine and metallo-carbapenemases enables cross-class inhibitor discovery
To Be Published,
実験手法
X-RAY DIFFRACTION (1.25 Å)
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構造検証レポート

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.17840 1.8% 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

他の静止画像(非対称単位)

Molmil generated image of 6d1a
回転なし
Molmil generated image of 6d1a
x軸(左右方向)周りに90°回転
Molmil generated image of 6d1a
y軸(上下方向)周りに90°回転