4NCG: Discovery of Doravirine, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses

PDB ID: 4NCGDownload
MMDB ID: 117524
PDB Deposition Date: 2013/10/24
Updated in MMDB: 2022/10
Experimental Method:
x-ray diffraction
Resolution: 2.58  Å
Source Organism:
Similar Structures:
Biological Unit for 4NCG: dimeric; determined by author and by software (PISA)
Molecular Components in 4NCG
Label Count Molecule
Proteins (2 molecules)
1
Reverse Transcriptase/ribonuclease H
(Gene symbol: gag-pol)
Molecule annotation
1
P51 RT
(Gene symbol: gag-pol)
Molecule annotation
Chemical and Non-standard biopolymers (1 molecule)
1
1
3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile
* 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