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Structure paper

TitleStructure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 136, Page 2892-2896, Year 2014
Publish dateJan 28, 2014 (structure data deposition date)
AuthorsChan, H.C. / Feng, X. / Ko, T.P. / Huang, C.H. / Hu, Y. / Zheng, Y. / Bogue, S. / Nakano, C. / Hoshino, T. / Zhang, L. ...Chan, H.C. / Feng, X. / Ko, T.P. / Huang, C.H. / Hu, Y. / Zheng, Y. / Bogue, S. / Nakano, C. / Hoshino, T. / Zhang, L. / Lv, P. / Liu, W. / Crick, D.C. / Liang, P.H. / Wang, A.H. / Oldfield, E. / Guo, R.T.
External linksJ. Am. Chem. Soc. / PubMed:24475925
MethodsX-ray diffraction
Resolution1.83 - 2.7 Å
Structure data

PDB-3wqk:
Crystal structure of Rv3378c with PO4
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-3wql:
Crystal structure of Rv3378c with Mg2+ and PPi
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-3wqm:
Crystal structure of Rv3378c with inhibitor BPH-629
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-3wqn:
Crystal structure of Rv3378c_Y51F with TPP
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-4kt8:
The complex structure of Rv3378c-Y51FY90F with substrate, TPP
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-4onc:
Crystal Structure of Mycobacterium Tuberculosis Decaprenyl Diphosphate Synthase in Complex with BPH-640
Method: X-RAY DIFFRACTION / Resolution: 1.83 Å

Chemicals

ChemComp-PO4:
PHOSPHATE ION

ChemComp-HOH:
WATER

ChemComp-MG:
Unknown entry

ChemComp-B29:
[2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID

ChemComp-9AX:
(2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate

ChemComp-40B:
[hydroxy(1,1':3',1''-terphenyl-3-yl)methanediyl]bis(phosphonic acid)

Source
  • mycobacterium tuberculosis (bacteria)
KeywordsHYDROLASE / phosphatase / Diterpene synthase / HYDROLASE/HYDROLASE INHIBITOR / HYDROLASE-HYDROLASE INHIBITOR complex / TRANSFERASE / polyprenyl transferase / decaprenyl diphosphate synthase

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