2HS2: Crystal structure of M46L mutant of HIV-1 protease complexed with TMC114 (darunavir)

PDB ID: 2HS2Download
MMDB ID: 41693
PDB Deposition Date: 2006/7/20
Updated in MMDB: 2021/10
Experimental Method:
x-ray diffraction
Resolution: 1.22  Å
Source Organism:
Similar Structures:
Biological Unit for 2HS2: dimeric; determined by author and by software (PISA)
Molecular Components in 2HS2
Label Count Molecule
Proteins (2 molecules)
2
Protease
Molecule annotation
Chemicals and Non-standard biopolymers (5 molecules)
1
2
CHLORIDE IONCHLORIDE ION
2
2
(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
3
1
DIMETHYL SULFOXIDEDIMETHYL SULFOXIDE
* 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