3VFA
Crystal Structure of HIV-1 Protease Mutant V82A with novel P1'-Ligands GRL-02031
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | protease | polymer | 99 | 10712.6 | 2 | UniProt (P0C6F2) Pfam (PF00077) | Human immunodeficiency virus type 1 lw12.3 isolate (HIV-1) | |
| 2 | C (A) | (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate | non-polymer | 601.7 | 1 | Chemie (031) | |||
| 3 | D (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 4 | E, F, G, H, I... (A, B) | CHLORIDE ION | non-polymer | 35.5 | 8 | Chemie (CL) | |||
| 5 | M, N (A, B) | water | water | 18.0 | 128 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: P0C6F2)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 495 | engineered mutation |
| Ile 33 | Leu 521 | engineered mutation |
| Ile 63 | Leu 551 | engineered mutation |
| Ala 67 | Cys 555 | engineered mutation |
| Ala 82 | Val 570 | engineered mutation |
| Ala 95 | Cys 583 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21425.2 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 908.3 | |
| All* | Total formula weight | 22333.6 |
