3Q2D

Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution

Summary for 3Q2D

Related3NPU 3NPV 3NPW 3NPX 3NQ2 3NQ8 3NQV
DescriptorDeoxyribose phosphate aldolase, 5-nitro-1H-benzotriazole (3 entities in total)
Functional Keywordsstructural genomics, israel structural proteomics center, ispc, tim, lyase
Biological sourceEscherichia coli
Total number of polymer chains2
Total molecular weight58165.94
Authors
Khersonsky, O.,Rothlisberge, D.,Wollacott, A.M.,Murphy, P.,Dym, O.,Albeck, S.,Kiss, G.,Houk, K.N.,Baker, D.,Tawfik, D.S.,Israel Structural Proteomics Center (ISPC) (deposition date: 2010-12-20, 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
X-RAY DIFFRACTION (2.19 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.29560.2%3.3%0.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report