Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution R4 8/5A

Summary for 3NQ8

Related3NPU 3NPV 3NPW 3NPX 3NQ2 3NQV 3NR0
Descriptordeoxyribose phosphate aldolase, NITRATE ION, BENZAMIDINE, ... (4 entities in total)
Functional Keywordstim, structural genomics, israel structural proteomics center, ispc, lyase
Biological sourceEscherichia coli
Total number of polymer chains1
Total molecular weight28741.52
Khersonsky, O.,Rothlisberge, D.,Wollacott, A.M.,Dym, O.,Baker, D.,Tawfik, D.S.,Israel Structural Proteomics Center (ISPC) (deposition date: 2010-06-29, release date: 2011-02-09, Last modification date: 2014-03-19)
Primary citation
Khersonsky, O.,Rothlisberger, D.,Wollacott, A.M.,Murphy, P.,Dym, O.,Albeck, S.,Kiss, G.,Houk, K.N.,Baker, D.,Tawfik, D.S.
Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
J.Mol.Biol., 407:391-412, 2011
PubMed: 21277311 (PDB entries with the same primary citation)
DOI: 10.1016/j.jmb.2011.01.041
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.18820 2.2% 0.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-10-21