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Structure paper

TitleHomology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 109, Page 4122-4127, Year 2012
Publish dateAug 4, 2009 (structure data deposition date)
AuthorsLukk, T. / Sakai, A. / Kalyanaraman, C. / Brown, S.D. / Imker, H.J. / Song, L. / Fedorov, A.A. / Fedorov, E.V. / Toro, R. / Hillerich, B. ...Lukk, T. / Sakai, A. / Kalyanaraman, C. / Brown, S.D. / Imker, H.J. / Song, L. / Fedorov, A.A. / Fedorov, E.V. / Toro, R. / Hillerich, B. / Seidel, R. / Patskovsky, Y. / Vetting, M.W. / Nair, S.K. / Babbitt, P.C. / Almo, S.C. / Gerlt, J.A. / Jacobson, M.P.
External linksProc. Natl. Acad. Sci. USA / PubMed:22392983
MethodsX-ray diffraction
Resolution1.5 - 3 Å
Structure data

PDB-3iji:
Structure of dipeptide epimerase from Bacteroides thetaiotaomicron complexed with L-Ala-D-Glu; nonproductive substrate binding.
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-3ijl:
Structure of dipeptide epimerase from Bacteroides thetaiotaomicron complexed with L-Pro-D-Glu; nonproductive substrate binding.
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-3ijq:
Structure of dipeptide epimerase from Bacteroides thetaiotaomicron complexed with L-Ala-D-Glu; productive substrate binding.
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-3ik4:
CRYSTAL STRUCTURE OF mandelate racemase/muconate lactonizing protein from Herpetosiphon aurantiacus
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-3jva:
Crystal structure of Dipeptide Epimerase from Enterococcus faecalis V583
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-3jw7:
Crystal structure of Dipeptide Epimerase from Enterococcus faecalis V583 complexed with Mg and dipeptide L-Ile-L-Tyr
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-3jzu:
Crystal structure of Dipeptide Epimerase from Enterococcus faecalis V583 complexed with Mg and dipeptide L-Leu-L-Tyr
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-3k1g:
Crystal structure of Dipeptide Epimerase from Enterococcus faecalis V583 complexed with Mg and dipeptide L-Ser-L-Tyr
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-3kum:
Crystal structure of Dipeptide Epimerase from Enterococcus faecalis V583 complexed with Mg and dipeptide L-Arg-L-Tyr
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-3q45:
Crystal structure of Dipeptide Epimerase from Cytophaga hutchinsonii complexed with Mg and dipeptide D-Ala-L-Val
Method: X-RAY DIFFRACTION / Resolution: 3 Å

PDB-3q4d:
Crystal structure of dipeptide epimerase from Cytophaga hutchinsonii complexed with Mg and dipeptide D-Ala-L-Ala
Method: X-RAY DIFFRACTION / Resolution: 3 Å

PDB-3r0k:
Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Tartrate bound, no Mg
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-3r0u:
Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Tartrate and Mg complex
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-3r10:
Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Mg complex
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-3r11:
Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Mg and Fumarate complex
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-3r1z:
Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Complex with L-Ala-L-Glu and L-Ala-D-Glu
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-3rit:
Crystal structure of Dipeptide Epimerase from Methylococcus capsulatus complexed with Mg and dipeptide L-Arg-D-Lys
Method: X-RAY DIFFRACTION / Resolution: 2.701 Å

PDB-3ro6:
Crystal structure of Dipeptide Epimerase from Methylococcus capsulatus complexed with Mg ion
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-ALA:
ALANINE

ChemComp-DGL:
D-GLUTAMIC ACID

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-PRO:
PROLINE

ChemComp-SO4:
SULFATE ION

ChemComp-K:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-ILE:
ISOLEUCINE

ChemComp-TYR:
TYROSINE

ChemComp-LEU:
LEUCINE

ChemComp-SER:
SERINE

ChemComp-ARG:
ARGININE

ChemComp-DAL:
D-ALANINE

ChemComp-VAL:
VALINE

ChemComp-TAR:
D(-)-TARTARIC ACID

ChemComp-FUM:
FUMARIC ACID

ChemComp-GLU:
GLUTAMIC ACID

ChemComp-DLY:
D-LYSINE

ChemComp-1PE:
PENTAETHYLENE GLYCOL / precipitant*YM

Source
  • bacteroides thetaiotaomicron (bacteria)
  • herpetosiphon aurantiacus atcc 23779 (bacteria)
  • enterococcus faecalis v583 (bacteria)
  • enterococcus faecalis (bacteria)
  • cytophaga hutchinsonii (bacteria)
  • francisella philomiragia (bacteria)
  • francisella philomiragia subsp. philomiragia (bacteria)
  • methylococcus capsulatus (bacteria)
KeywordsISOMERASE / Enolase superfamily / dipeptide epimerase / L-Ala-D-Glu / nonproductive binding / L-Pro-D-Glu / productive binding / STRUCTURAL GENOMICS / ENOLASE / EPIMERASE / PSI-2 / PROTEIN STRUCTURE INITIATIVE / NEW YORK SGX RESEARCH CENTER FOR STRUCTURAL GENOMICS / NYSGXRC / dipeptide L-Ile-L-Tyr / dipeptide L-Leu-L-Tyr / L-Ser-L-Tyr / dipeptide L-Arg-L-Tyr / (beta/alpha)8-barrel / METAL BINDING PROTEIN / PSI-Biology / New York Structural Genomics Research Consortium / NYSGRC / LYASE / putative epimerase / TIM barrel / chloromuconate cycloisomerase

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