5CP8

The effect of isoleucine to alanine mutation on InhA enzyme crystallization pattern and substrate binding loop conformation and flexibility

Summary for 5CP8

Entry DOI	10.2210/pdb5cp8/pdb
Related	5COQ 5CPB 5CPF
Descriptor	Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, ... (6 entities in total)
Functional Keywords	crystal packing fatty acid biosynthesis slow-onset inhibition free energy calculation, oxidoreductase
Biological source	Mycobacterium tuberculosis
Total number of polymer chains	1
Total formula weight	32078.43
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: 2015-07-21, 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 (2.4 Å)

Structure validation