5G0S: InhA in complex with a DNA encoded library hit

PDB ID: 5G0SDownload
MMDB ID: 145227
PDB Deposition Date: 2016/3/22
Updated in MMDB: 2016/12
Experimental Method:
x-ray diffraction
Resolution: 1.74  Å
Source Organism:
Similar Structures:
Biological Unit for 5G0S: tetrameric; determined by author and by software (PISA)
Molecular Components in 5G0S
Label Count Molecule
Proteins (4 molecules)
4
Enoyl-[acyl-carrier-protein] Reductase [nadh]
(Gene symbol: inhA)
Molecule annotation
Chemicals and Non-standard biopolymers (6 molecules)
1
4
NICOTINAMIDE-ADENINE-DINUCLEOTIDENICOTINAMIDE-ADENINE-DINUCLEOTIDE
2
2
N-[4-[2-[(2S)-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]cyclohexyl]-2-(3-methyl-1-benzothiophen-2-yl)ethanamideN-[4-[2-[(2S)-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]cyclohexyl]-2-(3-methyl-1-benzothiophen-2-yl)ethanamide
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303