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-Structure paper
Title | Binding of the antitubercular pro-drug isoniazid in the heme access channel of catalase-peroxidase (KatG). A combined structural and metadynamics investigation. |
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Journal, issue, pages | J Phys Chem B, Vol. 118, Page 2924-2931, Year 2014 |
Publish date | Aug 11, 2016 (structure data deposition date) |
![]() | Vidossich, P. / Loewen, P.C. / Carpena, X. / Fiorin, G. / Fita, I. / Rovira, C. |
![]() | ![]() ![]() |
Methods | X-ray diffraction |
Resolution | 1.7 - 1.88 Å |
Structure data | ![]() PDB-5syi: ![]() PDB-5syj: |
Chemicals | ![]() ChemComp-HEM: ![]() ChemComp-NA: ![]() ChemComp-CL: ![]() ChemComp-OXY: ![]() ChemComp-NIZ: ![]() ChemComp-MPD: ![]() ChemComp-PO4: ![]() ChemComp-HOH: |
Source |
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![]() | OXIDOREDUCTASE / catalase-peroxidase / KatG / isoniazid / D141A variant |