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TitleFunctional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA).
Journal, issue, pagesJ. Biol. Chem., Vol. 287, Page 12657-12667, Year 2012
Publish dateJul 1, 2011 (structure data deposition date)
AuthorsZhu, J.Y. / Yang, Y. / Han, H. / Betzi, S. / Olesen, S.H. / Marsilio, F. / Schonbrunn, E.
External linksJ. Biol. Chem. / PubMed:22378791
MethodsX-ray diffraction
Resolution1.81 - 2.8 Å
Structure data

PDB-3spb:
Unliganded E. Cloacae MurA
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-3su9:
E. Cloacae MURA in complex with UDP-N-acetylmuramic acid and covalent adduct of PEP with Cys115
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-3swa:
E. Cloacae MurA R120A complex with UNAG and covalent adduct of PEP with CYS115
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-3swd:
E. coli MurA in complex with UDP-N-acetylmuramic acid and covalent adduct of PEP with Cys115
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-3swe:
Haemophilus influenzae MurA in complex with UDP-N-acetylmuramic acid and covalent adduct of PEP with Cys117
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-3swg:
AQUIFEX AEOLICUS MurA in complex with UDP-N-acetylmuramic acid and covalent adduct of PEP with Cys124
Method: X-RAY DIFFRACTION / Resolution: 1.81 Å

PDB-3swi:
E. Cloacae MurA in complex with Enolpyruvyl-UDP-N-acetylgalactosamine and covalent adduct of PEP with CYS115
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-3swq:
E. Cloacae MurA in complex with Enolpyruvyl-UNAG
Method: X-RAY DIFFRACTION / Resolution: 1.83 Å

PDB-3upk:
E. cloacae MURA in complex with UNAG
Method: X-RAY DIFFRACTION / Resolution: 2.0 Å

PDB-3v4t:
E. cloacae C115D MURA liganded with UNAG
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-3v5v:
UNLIGANDED E.CLOACAE C115D MURA
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

ChemComp-HOH:
WATER / Water

ChemComp-EDO:
1,2-ETHANEDIOL / Ethylene glycol

ChemComp-ACT:
ACETATE ION / Acetate

ChemComp-EPZ:
(2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid

ChemComp-UD1:
URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE

ChemComp-SO4:
SULFATE ION / Sulfate

ChemComp-GOL:
GLYCEROL / Glycerol

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM / Polyethylene glycol

ChemComp-PGE:
TRIETHYLENE GLYCOL / Polyethylene glycol

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER / Diethylene glycol

ChemComp-MOE:
METHOXY-ETHOXYL

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

ChemComp-MG:
Unknown entry

ChemComp-UD2:
URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE

ChemComp-UPN:
2-{[(2R,3R,4R,5R,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}prop-2-enoic acid

ChemComp-EPU:
URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID

Source
  • enterobacter cloacae (bacteria)
  • escherichia coli (E. coli)
  • haemophilus influenzae (bacteria)
  • aquifex aeolicus (bacteria)
KeywordsTRANSFERASE / MURA / OPEN ENZYME STATE / CELL WALL / BIOGENESIS/DEGRADATION / PEPTIDOGLYCAN SYNTHESIS / CLOSE ENZYME STATE / Covalent adduct of PEP / PEP

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