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Structure paper

TitleIdentification and characterization of an allosteric inhibitory site on dihydropteroate synthase.
Journal, issue, pagesAcs Chem. Biol., Vol. 9, Page 1294-1302, Year 2014
Publish dateNov 5, 2013 (structure data deposition date)
AuthorsHammoudeh, D.I. / Date, M. / Yun, M.K. / Zhang, W. / Boyd, V.A. / Viacava Follis, A. / Griffith, E. / Lee, R.E. / Bashford, D. / White, S.W.
External linksAcs Chem. Biol. / PubMed:24650357
MethodsX-ray diffraction
Resolution1.772 - 2.3 Å
Structure data

PDB-4nhv:
Crystal structure of B. anthracis DHPS with interfacial compound 4: 5-(trifluoromethyl)-1,2-benzoxazol-3-amine
Method: X-RAY DIFFRACTION / Resolution: 1.992 Å

PDB-4nil:
Crystal structure of B. anthracis DHPS with compound 5: 4-[(trifluoromethyl)sulfanyl]benzamide
Method: X-RAY DIFFRACTION / Resolution: 2.18 Å

PDB-4nir:
Crystal structure of B. anthracis DHPS with compound 6: 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol
Method: X-RAY DIFFRACTION / Resolution: 1.772 Å

PDB-4nl1:
Crystal structure of B. anthracis DHPS with compound 11: (E)-N-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-2O6:
5-(trifluoromethyl)-1,2-benzoxazol-3-amine

ChemComp-HOH:
WATER

ChemComp-2O8:
4-[(trifluoromethyl)sulfanyl]benzamide

ChemComp-6DH:
3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol

ChemComp-Z13:
(E)-N-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine

Source
  • bacillus anthracis (anthrax bacterium)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / TIM Barrel / TIM barel / Transferase / Pterin / pABA / TRANSFERASE-TRANSFERASE INHIBITOR complex / Pterin and pABA binding

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