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Structure paper

TitleLocation and conformation of pantothenate and its derivatives in Mycobacterium tuberculosis pantothenate kinase: insights into enzyme action
Journal, issue, pagesActa Crystallogr. ,Sect. D, Vol. 67, Page 774-783, Year 2011
Publish dateMar 6, 2011 (structure data deposition date)
AuthorsChetnani, B. / Kumar, P. / Abhinav, K.V. / Chhibber, M. / Surolia, A. / Vijayan, M.
External linksActa Crystallogr. ,Sect. D / PubMed:21904030
MethodsX-ray diffraction
Resolution2.55 - 3 Å
Structure data

PDB-3avo:
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with Pantothenate
Method: X-RAY DIFFRACTION / Resolution: 2.55 Å

PDB-3avp:
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with Pantothenol
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-3avq:
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with N9-Pan
Method: X-RAY DIFFRACTION / Resolution: 3 Å

Chemicals

ChemComp-FLC:
CITRATE ANION

ChemComp-PAU:
PANTOTHENOIC ACID

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-MV2:
(2S)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide

ChemComp-NA:
Unknown entry

ChemComp-MV1:
(2S)-2,4-dihydroxy-3,3-dimethyl-N-[3-(nonylamino)-3-oxopropyl]butanamide

Source
  • mycobacterium tuberculosis (bacteria)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / HOMODIMER / COA BIOSYNTHESIS / NUCLEOTIDE BINDING / TRANSFERASE-TRANSFERASE INHIBITOR complex

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