8FUJ: HIV-1 wild type protease with GRL-03419A, with N-(2,5-dimethylphenyl)-4-(pyridin-3-yl)pyrimidin-2-amine as P2-P3 group and 3,5-difluorophenylmethyl as the P1 group

PDB ID: 8FUJDownload
MMDB ID: 230570
PDB Deposition Date: 2023/1/17
Updated in MMDB: 2024/05
Experimental Method:
x-ray diffraction
Resolution: 1.12  Å
Source Organism:
Similar Structures:
Biological Unit for 8FUJ: dimeric; determined by author and by software (PISA)
Molecular Components in 8FUJ
Label Count Molecule
Proteins (2 molecules)
2
Protease
Molecule annotation
Chemicals and Non-standard biopolymers (9 molecules)
1
1
SODIUM IONSODIUM ION
2
4
CHLORIDE IONCHLORIDE ION
3
2
FORMIC ACIDFORMIC ACID
4
1
N-{(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(4-methoxybenzene-1-sulfonyl)(2-methylpropyl)amino]butan-2-yl}-4-methyl-3-{[(4M)-4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzamideN-{(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(4-methoxybenzene-1-sulfonyl)(2-methylpropyl)amino]butan-2-yl}-4-methyl-3-{[(4M)-4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzamide
5
1
GLYCEROLGLYCEROL
* 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