2J9K
Atomic-resolution Crystal Structure of Chemically-Synthesized HIV-1 Protease Complexed with Inhibitor MVT-101
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 | 10746.6 | 2 | UniProt (O38907) Pfam (PF00077) UniProt (by SIFTS) (P03369) | HUMAN IMMUNODEFICIENCY VIRUS 1 | HIV1-PROTEASE |
| 2 | C (A) | 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) | |||
| 3 | D, E, J, K, L (A, B) | SULFATE ION | non-polymer | 96.1 | 5 | Chemie (SO4) | |||
| 4 | F, G, M, N, O (A, B) | ACETATE ION | non-polymer | 59.0 | 5 | Chemie (ACT) | |||
| 5 | H, I (A) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 6 | P, Q (A, B) | water | water | 18.0 | 158 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: O38907)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 7 | conflict |
| Nle 36 | Met 36 | conflict |
| Slz 41 | Arg 41 | conflict |
| Nle 46 | Met 46 | conflict |
| Ile 62 | Val 62 | conflict |
| Val 64 | Ile 64 | conflict |
| Ile 93 | Leu 93 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21493.3 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 1730.7 | |
| All* | Total formula weight | 23224.0 |
