3VF5
Crystal Structure of HIV-1 Protease Mutant I47V 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 | 10726.6 | 2 | UniProt (P03367) Pfam (PF00077) | Human immunodeficiency virus type 1 (BRU ISOLATE) (HIV-1) | |
| 2 | C, I (A, B) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 3 | D, E, J, K (A, B) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
| 4 | F, G (A) | ACETATE ION | non-polymer | 59.0 | 2 | Chemie (ACT) | |||
| 5 | H (B) | (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) | |||
| 6 | L (B) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 7 | M, N (A, B) | water | water | 18.0 | 205 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: P03367)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 507 | engineered mutation |
| Ile 33 | Leu 533 | engineered mutation |
| Val 47 | Ile 547 | engineered mutation |
| Ile 63 | Leu 563 | engineered mutation |
| Ala 67 | Cys 567 | engineered mutation |
| Ala 95 | Cys 595 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21453.3 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 999.7 | |
| All* | Total formula weight | 22453.0 |
