5DGW
Crystal Structure of HIV-1 Protease Inhibitor GRL-105-11A Containing Substituted fused-Tetrahydropyranyl Tetrahydrofuran as P2-Ligand
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Pol protein | polymer | 99 | 10740.7 | 2 | UniProt (Q8Q3H0) Pfam (PF00077) UniProt (by SIFTS) (P04585) In PDB | Human immunodeficiency virus 1 | |
2 | A | (3R,3aS,4S,7aS)-3-(ethylamino)hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate | non-polymer | 619.8 | 1 | Chemie (5B5) | |||
3 | A | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
4 | A, B | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
5 | water | water | 18.0 | 138 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: Q8Q3H0)
PDB | External Database | Details |
---|---|---|
Lys 7 | Gln 7 | conflict |
Ile 33 | Leu 33 | conflict |
Ile 63 | Leu 63 | conflict |
Ala 67 | Cys 67 | conflict |
Ala 95 | Cys 95 | conflict |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 21481.4 | |
Non-Polymers* | Number of molecules | 5 |
Total formula weight | 749.1 | |
All* | Total formula weight | 22230.5 |