5COQ
The effect of valine to alanine mutation on InhA enzyme crystallization pattern and substrate binding loop conformation and flexibility
Summary for 5COQ
Entry DOI | 10.2210/pdb5coq/pdb |
Related | 5CP8 5CPF |
Descriptor | Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, ... (5 entities in total) |
Functional Keywords | fatty acid biosynthesis slow-onset inhibition crystallographic disorder molecular dynamics simulation, oxidoreductase |
Biological source | Mycobacterium tuberculosis |
Total number of polymer chains | 4 |
Total formula weight | 126606.58 |
Authors | Li, H.-J.,Lai, C.-T.,Liu, N.,Yu, W.,Shah, S.,Bommineni, G.R.,Perrone, V.,Garcia-Diaz, M.,Tonge, P.J.,Simmerling, C. (deposition date: 2015-07-20, release date: 2015-08-05, Last modification date: 2024-03-06) |
Primary citation | Lai, C.T.,Li, H.J.,Yu, W.,Shah, S.,Bommineni, G.R.,Perrone, V.,Garcia-Diaz, M.,Tonge, P.J.,Simmerling, C. Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA. Biochemistry, 54:4683-4691, 2015 Cited by PubMed: 26147157DOI: 10.1021/acs.biochem.5b00284 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.3 Å) |
Structure validation
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