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TitleDiversity in the ligand binding pocket of HapR attributes to its uniqueness towards several inhibitors with respect to other homologues - A structural and molecular perspective.
Journal, issue, pagesInt. J. Biol. Macromol., Vol. 233, Page 123495-123495, Year 2023
Publish dateMay 30, 2022 (structure data deposition date)
AuthorsSen, H. / Choudhury, G.B. / Pawar, G. / Sharma, Y. / Bhalerao, S.E. / Chaudhari, V.D. / Datta, S. / Raychaudhuri, S.
External linksInt. J. Biol. Macromol. / PubMed:36739058
MethodsX-ray diffraction
Resolution2.25 - 2.69 Å
Structure data

PDB-7xxn:
HapR Quadruple mutant, bound to Qstatin
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

PDB-7xxo:
HapR Native in CHES buffer pH 9.5
Method: X-RAY DIFFRACTION / Resolution: 2.487 Å

PDB-7xxs:
HapR mutant I141V
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

PDB-7xxt:
HapR Quadruple mutant, bound to IMTVC-212
Method: X-RAY DIFFRACTION / Resolution: 2.501 Å

PDB-7xy0:
HapR Double mutant Y76F, F171C
Method: X-RAY DIFFRACTION / Resolution: 2.43 Å

PDB-7xy5:
HapR_Double Mutant with CHES buffer
Method: X-RAY DIFFRACTION / Resolution: 2.37 Å

PDB-7xyi:
HapR Quadruple mutant Y76F, L97I, I141V, F171C
Method: X-RAY DIFFRACTION / Resolution: 2.47 Å

PDB-7y4j:
HapR_Triple mutant Y76F, L97I, F171C
Method: X-RAY DIFFRACTION / Resolution: 2.69 Å

Chemicals

ChemComp-7Y3:
1-(5-bromanylthiophen-2-yl)sulfonylpyrazole

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-7PI:
1-((5-phenylthiophen-2-yl)sulfonyl)-1H-pyrazole

ChemComp-NHE:
2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID / pH buffer*YM

Source
  • vibrio cholerae (bacteria)
KeywordsTRANSCRIPTION / HapR Master Regulator / HapR Master Regulator Double mutant Y76F / F171C with CHES molecule TRANSCRIPTION

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