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Structure paper

TitleInhibition of Mycobacterium tuberculosis pantothenate synthetase by analogues of the reaction intermediate.
Journal, issue, pagesChembiochem, Vol. 9, Page 2606-2611, Year 2008
Publish dateMar 29, 2008 (structure data deposition date)
AuthorsCiulli, A. / Scott, D.E. / Ando, M. / Reyes, F. / Saldanha, S.A. / Tuck, K.L. / Chirgadze, D.Y. / Blundell, T.L. / Abell, C.
External linksChembiochem / PubMed:18821554
MethodsX-ray diffraction
Resolution1.5 - 2.03 Å
Structure data

PDB-3cov:
Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.5 Ang resolution- apo form
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-3cow:
Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.8 Ang resolution- in complex with sulphonamide inhibitor 2
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-3coy:
Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 2.05 Ang resolution- in complex with sulphonamide inhibitor 3
Method: X-RAY DIFFRACTION / Resolution: 2.03 Å

PDB-3coz:
Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 2.0 Ang resolution- in complex with sulphonamide inhibitor 4
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-EOH:
ETHANOL

ChemComp-HOH:
WATER

ChemComp-52H:
5'-O-{[(2R)-2-hydroxy-3,3-dimethylbutanoyl]sulfamoyl}adenosine

ChemComp-53H:
5'-O-[(3-methyl-D-valyl)sulfamoyl]adenosine

ChemComp-54H:
5'-O-(D-valylsulfamoyl)adenosine

Source
  • mycobacterium tuberculosis (bacteria)
KeywordsLIGASE / Mycobacterium tuberculosis / pantothenate biosynthesis / enzymes / drug design / ATP-binding / Magnesium / Metal-binding / Nucleotide-binding / inhibitors

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