6O57
Crystal Structure of multi-drug resistant HIV-1 protease PR-S17 with a substrate analog p2-NC in P41
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) | HIV-1 protease | polymer | 99 | 10791.6 | 2 | UniProt (I7BFC3) Pfam (PF00077) | Human immunodeficiency virus 1 | |
| 2 | C, E, F, G (A, B) | FORMIC ACID | non-polymer | 46.0 | 4 | Chemie (FMT) | |||
| 3 | D (B) | N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide | non-polymer | 771.0 | 1 | BIRD (PRD_000398) Chemie (2NC) | |||
| 4 | H, I (A, B) | water | water | 18.0 | 78 | Chemie (HOH) |
Sequence modifications
A, B: 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 | 2 |
| Total formula weight | 21583.2 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 955.1 | |
| All* | Total formula weight | 22538.3 |
