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: 26147157 DOI: 10.1021/acs.biochem.5b00284 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.3 Å)

Structure validation