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Structure paper

TitleEngineering a model protein cavity to catalyze the Kemp elimination.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 109, Page 16179-16183, Year 2012
Publish dateMar 20, 2012 (structure data deposition date)
AuthorsMerski, M. / Shoichet, B.K.
External linksProc. Natl. Acad. Sci. USA / PubMed:22988064
MethodsX-ray diffraction
Resolution1.3 - 1.64 Å
Structure data

PDB-4e97:
T4 Lysozyme L99A/M102H with 2-Mercaptoethanol Bound
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-4ekp:
T4 Lysozyme L99A/M102H with Nitrobenzene Bound
Method: X-RAY DIFFRACTION / Resolution: 1.64 Å

PDB-4ekq:
T4 Lysozyme L99A/M102H with 4-Nitrophenol Bound
Method: X-RAY DIFFRACTION / Resolution: 1.54 Å

PDB-4ekr:
T4 Lysozyme L99A/M102H with 2-Cyanophenol Bound
Method: X-RAY DIFFRACTION / Resolution: 1.49 Å

PDB-4eks:
T4 Lysozyme L99A/M102H with Isoxazole Bound
Method: X-RAY DIFFRACTION / Resolution: 1.64 Å

Chemicals

ChemComp-BME:
BETA-MERCAPTOETHANOL

ChemComp-SO4:
SULFATE ION

ChemComp-HED:
2-HYDROXYETHYL DISULFIDE

ChemComp-ACT:
ACETATE ION

ChemComp-HOH:
WATER

ChemComp-NBZ:
NITROBENZENE

ChemComp-NPO:
P-NITROPHENOL

ChemComp-0R0:
2-hydroxybenzonitrile

ChemComp-0R1:
1,2-benzisoxazole

Source
  • enterobacteria phage t4 (virus)
KeywordsHYDROLASE / Alkylation with 2-mercaptoethanol / alkylation of Cys97

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