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Structure paper

TitleFragment based inhibitor design of Mycobacterium tuberculosis BioA (http://hdl.handle.net/11299/171084)
Journal, issue, pagesThesis, University Of Minnesota, Year 2015
Publish dateJan 8, 2015 (structure data deposition date)
AuthorsFinzel, B.C. / Dai, R.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.6 - 1.85 Å
Structure data

PDB-4xjl:
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a HTS lead compound
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-4xjm:
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a HTS lead compound
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

Chemicals

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-PLP:
PYRIDOXAL-5'-PHOSPHATE

ChemComp-41F:
N-(1,2,3-benzothiadiazol-5-yl)-4-phenylpiperazine-1-carboxamide

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-HOH:
WATER

ChemComp-41E:
3-{1-[(5-acetylthiophen-2-yl)carbonyl]piperidin-4-yl}-N-(3-methoxyphenyl)propanamide

Source
  • mycobacterium tuberculosis (strain atcc 25618 / h37rv) (bacteria)
Keywordstransferase/transferase inhibitor / Inhibitor Complex Transaminase PLP / transferase-transferase inhibitor complex

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