6O5X
Crystal Structure of multi-drug resistant HIV-1 protease PR-S17 with substrate analog CA-p2
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 PR-S17 | polymer | 99 | 10791.6 | 4 | UniProt (I7BFC3) Pfam (PF00077) | Human immunodeficiency virus 1 | |
| 2 | E, F, G, H, J... (A, B, C, D) | CHLORIDE ION | non-polymer | 35.5 | 12 | Chemie (CL) | |||
| 3 | I, R (B, D) | N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide | non-polymer | 833.1 | 2 | BIRD (PRD_000349) Chemie (0Q4) | |||
| 4 | L (B) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 5 | T, U, V, W (A, B, C, D) | water | water | 18.0 | 170 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 99 (UniProt: I7BFC3)
| PDB | External Database | Details |
|---|---|---|
| Leu 46 | Met 46 | engineered mutation |
| Val 48 | Gly 48 | engineered mutation |
| Ala 67 | Cys 67 | engineered mutation |
| Ile 77 | Val 77 | engineered mutation |
| Ser 82 | Ala 82 | engineered mutation |
| Leu 93 | Ile 93 | engineered mutation |
| Ala 95 | Cys 95 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 43166.4 | |
| Non-Polymers* | Number of molecules | 15 |
| Total formula weight | 2114.5 | |
| All* | Total formula weight | 45280.9 |
