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Structure paper

TitleDe novo active sites for resurrected Precambrian enzymes.
Journal, issue, pagesNat Commun, Vol. 8, Page 16113-16113, Year 2017
Publish dateMar 25, 2015 (structure data deposition date)
AuthorsRisso, V.A. / Martinez-Rodriguez, S. / Candel, A.M. / Kruger, D.M. / Pantoja-Uceda, D. / Ortega-Munoz, M. / Santoyo-Gonzalez, F. / Gaucher, E.A. / Kamerlin, S.C.L. / Bruix, M. ...Risso, V.A. / Martinez-Rodriguez, S. / Candel, A.M. / Kruger, D.M. / Pantoja-Uceda, D. / Ortega-Munoz, M. / Santoyo-Gonzalez, F. / Gaucher, E.A. / Kamerlin, S.C.L. / Bruix, M. / Gavira, J.A. / Sanchez-Ruiz, J.M.
External linksNat Commun / PubMed:28719578
MethodsX-ray diffraction
Resolution1.305 - 2.271 Å
Structure data

PDB-4uhu:
W229D mutant of the last common ancestor of Gram-negative bacteria (GNCA) beta-lactamase class A
Method: X-RAY DIFFRACTION / Resolution: 1.305 Å

PDB-5fqi:
W229D and F290W mutant of the last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-5fqj:
W229D mutant of the last common ancestor of Gram-negative bacteria (GNCA) beta-lactamase bound to 5(6)-nitrobenzotriazole (TS-analog)
Method: X-RAY DIFFRACTION / Resolution: 2.271 Å

PDB-5fqk:
W229D and F290W mutant of the last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A bound to 5(6)-nitrobenzotriazole (TS-analog)
Method: X-RAY DIFFRACTION / Resolution: 1.767 Å

PDB-5fqm:
Last common ancestor of Gram Negative Bacteria (GNCA) Class A beta- lactamase
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-5fqq:
Last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A
Method: X-RAY DIFFRACTION / Resolution: 2.12 Å

Chemicals

ChemComp-FMT:
FORMIC ACID

ChemComp-ACT:
ACETATE ION

ChemComp-HOH:
WATER

ChemComp-GOL:
GLYCEROL

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-PG0:
2-(2-METHOXYETHOXY)ETHANOL / inhibitor, precipitant*YM

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-6NT:
6-NITROBENZOTRIAZOLE

ChemComp-SO4:
SULFATE ION

Source
  • synthetic construct (others)
KeywordsHYDROLASE / PRECAMBRIAN / RESURRECTED BETA-LACTAMASE / GNCA / GNCA4

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