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TitleUnexpected Tricovalent Binding Mode of Boronic Acids within the Active Site of a Penicillin- Binding Protein.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 133, Page 10839-, Year 2011
Publish dateJan 5, 2011 (structure data deposition date)
AuthorsZervosen, A. / Herman, R. / Kerff, F. / Herman, A. / Bouillez, A. / Prati, F. / Pratt, R.F. / Frere, J.M. / Joris, B. / Luxen, A. ...Zervosen, A. / Herman, R. / Kerff, F. / Herman, A. / Bouillez, A. / Prati, F. / Pratt, R.F. / Frere, J.M. / Joris, B. / Luxen, A. / Charlier, P. / Sauvage, E.
External linksJ. Am. Chem. Soc. / PubMed:21574608
MethodsX-ray diffraction
Resolution2 - 3.1 Å
Structure data

PDB-2y4a:
Unexpected tricovalent binding mode of boronic acids within the active site of a penicillin binding protein
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-2y55:
Unexpected tricovalent binding mode of boronic acids within the active site of a penicillin binding protein
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-2y59:
Unexpected tricovalent binding mode of boronic acids within the active site of a penicillin binding protein
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-3zvt:
Unexpected tricovalent binding mode of boronic acids within the active site of a penicillin binding protein
Method: X-RAY DIFFRACTION / Resolution: 3.1 Å

PDB-3zvw:
Unexpected tricovalent binding mode of boronic acids within the active site of a penicillin binding protein
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-BH6:
{[(2-chlorobenzoyl)amino]methyl}boronic acid

ChemComp-SO4:
SULFATE ION

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-FP5:
PHENYLACETAMIDOMETHYL BORONIC ACID

ChemComp-ACN:
ACETONE

ChemComp-ZA3:
TRIHYDROXY-[[(2-NITROPHENYL)CARBONYLAMINO]METHYL]BORON

ChemComp-B07:
2,6 DIMETHOXYBENZAMIDOBORONIC ACID

ChemComp-33D:
3,3-DIMETHYLBUTAN-1-OL

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

Source
  • actinomadura sp (bacteria)
  • actinomadura sp. r39 (bacteria)
  • actinomadura sp.r39 (bacteria)
KeywordsHYDROLASE / PEPTIDOGLYCAN / TETRAVALENT BORON / HYDROLASE-INHIBITOR COMPLEX / PENICILLIN-BINDING

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