3NPW

In silico designed of an improved Kemp eliminase KE70 mutant by computational design and directed evolution

Summary for 3NPW

Related3NPU 3NPV 3NPX 3NQ2 3NQ8 3NQV 3NR0
Descriptordeoxyribose phosphate aldolase (2 entities in total)
Functional Keywordstim, structural genomics, israel structural proteomics center, ispc, lyase
Biological sourceEscherichia coli
Total number of polymer chains2
Total molecular weight56025.91
Authors
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
X-RAY DIFFRACTION (2.14 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.25950.2%1.7%0.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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Molmil generated image of 3npw
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More Biological unit images

Molmil generated image of 3npw
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Molmil generated image of 3npw
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Molmil generated image of 3npw
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(*)In the case of coarse surface representation, the asymmetric unit is shown as red ribbon representation.
Coordinate files for Biological unit (3npw.pdb1.gz [39.12 KB])
Coordinate files for Biological unit (3npw.pdb2.gz [37.66 KB])