4OBF
Crystal Structure of Nelfinavir-Resistant, Inactive HIV-1 Protease Variant (D30N/N88D) in Complex with the p1-p6 substrate variant (S451N)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | HIV-1 Protease | polymer | 99 | 10814.8 | 4 | UniProt (P03369) Pfam (PF00077) | Human immunodeficiency virus type 1 (HIV-1) | PR, Retropepsin |
| 2 | E, F (E, F) | p1-p6 peptide | polymer | 10 | 1200.3 | 2 | UniProt (P03349) | Human immunodeficiency virus 1 | |
| 3 | G, M, O, S (A, B, C, D) | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
| 4 | H, I, J, N, P... (A, B, C, D, E) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 9 | Chemie (EDO) | |||
| 5 | K, U (A, D) | PHOSPHATE ION | non-polymer | 95.0 | 2 | Chemie (PO4) | |||
| 6 | L (A) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 7 | AA, BA, W, X, Y... (E, F, A, B, C...) | water | water | 18.0 | 188 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 99 (UniProt: P03369)
E, F: 1 - 10 (UniProt: P03349)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 497 | engineered mutation |
| Asn 25 | Asp 515 | engineered mutation |
| Asn 30 | Asp 520 | engineered mutation |
| Ile 64 | Val 554 | engineered mutation |
| Asp 88 | Asn 578 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Asn 8 | Ser 453 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 6 |
| Total formula weight | 45659.9 | |
| Non-Polymers* | Number of molecules | 16 |
| Total formula weight | 1176.0 | |
| All* | Total formula weight | 46835.9 |
