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TitleDirect capture, inhibition and crystal structure of HsaD (Rv3569c) from M. tuberculosis.
Journal, issue, pagesFebs J., Vol. 290, Page 1563-1582, Year 2023
Publish dateApr 11, 2022 (structure data deposition date)
AuthorsBarelier, S. / Avellan, R. / Gnawali, G.R. / Fourquet, P. / Roig-Zamboni, V. / Poncin, I. / Point, V. / Bourne, Y. / Audebert, S. / Camoin, L. ...Barelier, S. / Avellan, R. / Gnawali, G.R. / Fourquet, P. / Roig-Zamboni, V. / Poncin, I. / Point, V. / Bourne, Y. / Audebert, S. / Camoin, L. / Spilling, C.D. / Canaan, S. / Cavalier, J.F. / Sulzenbacher, G.
External linksFebs J. / PubMed:36197115
MethodsX-ray diffraction
Resolution1.62 - 2.2 Å
Structure data

PDB-7zjt:
Crystal structure of HsaD from Mycobacterium tuberculosis at 1.96 A resolution
Method: X-RAY DIFFRACTION / Resolution: 1.96 Å

PDB-7zm1:
Crystal structure of HsaD from Mycobacterium tuberculosis in complex with Cyclophostin-like inhibitor CyC7b
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-7zm2:
Crystal structure of HsaD from Mycobacterium tuberculosis in complex with Cyclophostin-like inhibitor CyC8b
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-7zm3:
Crystal structure of HsaD from Mycobacterium tuberculosis in complex with Cyclipostin-like inhibitor CyC17
Method: X-RAY DIFFRACTION / Resolution: 1.81 Å

PDB-7zm4:
Crystal structure of HsaD from Mycobacterium tuberculosis in complex with Cyclipostin-like inhibitor CyC31
Method: X-RAY DIFFRACTION / Resolution: 1.62 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-IY8:
methoxy-[(~{E},3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]tridec-11-enyl]phosphinous acid

ChemComp-SO4:
SULFATE ION

ChemComp-9SW:
methoxy-[(3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid

ChemComp-E9H:
hexadecyl dihydrogen phosphate

ChemComp-IYB:
undecyl dihydrogen phosphate

Source
  • mycobacterium tuberculosis h37rv (bacteria)
KeywordsHYDROLASE / HsaD / M. tuberculosis / cholesterol / inhibitor

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