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Structure paper

TitleCatalysis and sulfa drug resistance in dihydropteroate synthase.
Journal, issue, pagesScience, Vol. 335, Page 1110-1114, Year 2012
Publish dateSep 24, 2011 (structure data deposition date)
AuthorsYun, M.K. / Wu, Y. / Li, Z. / Zhao, Y. / Waddell, M.B. / Ferreira, A.M. / Lee, R.E. / Bashford, D. / White, S.W.
External linksScience / PubMed:22383850
MethodsX-ray diffraction
Resolution2.07 - 2.7 Å
Structure data

PDB-3tya:
Dihydropteroate Synthase in complex with product
Method: X-RAY DIFFRACTION / Resolution: 2.611 Å

PDB-3tyb:
Dihydropteroate Synthase in complex with pHBA and DHP+
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-3tyc:
Dihydropteroate Synthase in complex with DHP+
Method: X-RAY DIFFRACTION / Resolution: 2.303 Å

PDB-3tyd:
Dihydropteroate Synthase in complex with PPi and DHP+
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-3tye:
Dihydropteroate Synthase in complex with DHP-STZ
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-3tyu:
Crystal Structure of Dihydropteroate synthetase with Product1
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-3tyz:
Crystal Structure of the Yersinia pestis Dihydropteroate synthetase with substrate transition state complex.
Method: X-RAY DIFFRACTION / Resolution: 2.07 Å

PDB-3tzf:
Crystal Structure of the Yersinia pestis Dihydropteroate Synthase with Sulfonamide Drug Complex.
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-3tzn:
Crystal Structure of the Yersinia pestis Dihydropteroate synthase.
Method: X-RAY DIFFRACTION / Resolution: 2.083 Å

PDB-3v5o:
Structural and Mechanistic Studies of Catalysis and Sulfa Drug Resistance in Dihydropteroate Synthase
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-78H:
7,8-DIHYDROPTEROATE

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-XHP:
2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one

ChemComp-PHB:
P-HYDROXYBENZOIC ACID

ChemComp-POP:
PYROPHOSPHATE 2-

ChemComp-XTZ:
4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide

ChemComp-YTZ:
4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide / Antimicrobial*YM

ChemComp-PT1:
PTEROIC ACID

ChemComp-PAB:
4-AMINOBENZOIC ACID

ChemComp-MG:
Unknown entry

ChemComp-HH2:
6-HYDROXYMETHYLPTERIN-DIPHOSPHATE

ChemComp-08D:
Sulfamethoxazole / antibiotic*YM

Source
  • bacillus anthracis (anthrax bacterium)
  • yersinia pestis (bacteria)
KeywordsTRANSFERASE / anthracis / folate biosynthesis / dihydropteroate / pterine / tim barrel / pABA inhibitor / dihydropteroate analog / TRANSFERASE/TRANSFERASE SUBSTRATE / Dihydropteroate synthase / transition state complex / pABA / TRANSFERASE-TRANSFERASE SUBSTRATE complex / TRANSFERASE/ANTIBIOTIC/INHIBITOR / sulfonamide complex / TRANSFERASE-INHIBITOR-ANTIBIOTIC complex / TRANSFERASE-ANTIBIOTIC-INHIBITOR complex / DHPP and pABA

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