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TitleProbing the electrostatics of active site microenvironments along the catalytic cycle for Escherichia coli dihydrofolate reductase.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 136, Page 10349-10360, Year 2014
Publish dateMar 21, 2014 (structure data deposition date)
AuthorsLiu, C.T. / Layfield, J.P. / Stewart, R.J. / French, J.B. / Hanoian, P. / Asbury, J.B. / Hammes-Schiffer, S. / Benkovic, S.J.
External linksJ. Am. Chem. Soc. / PubMed:24977791
MethodsX-ray diffraction
Resolution1.84 - 2.26 Å
Structure data

PDB-4p66:
Electrostatics of Active Site Microenvironments of E. coli DHFR
Method: X-RAY DIFFRACTION / Resolution: 1.84 Å

PDB-4p68:
Electrostatics of Active Site Microenvironments for E. coli DHFR
Method: X-RAY DIFFRACTION / Resolution: 2.26 Å

Chemicals

ChemComp-MTX:
METHOTREXATE / chemotherapy*YM

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-CA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-ACT:
ACETATE ION

Source
  • escherichia coli (E. coli)
KeywordsOXIDOREDUCTASE / catalysis / electrostatics / catalytic cycle / DHFR

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