2XYF
HIV-1 Inhibitors with a Tertiary-Alcohol-containing Transition-State Mimic and various P2 and P1 prime Substituents
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 | 10775.7 | 2 | UniProt (P03366) Pfam (PF00077) UniProt (by SIFTS) (P12499) | HUMAN IMMUNODEFICIENCY VIRUS 1 (Z2/CDC-Z34 ISOLATE) | PR, RETROPEPSIN |
| 2 | C (B) | METHYL N-[(2S)-1-[2-[(4R)-5-[[(2S)-3,3-DIMETHYL-1-METHYLAMINO-1-OXO-BUTAN-2-YL]AMINO]-4-HYDROXY-5-OXO-4-(PHENYLMETHYL)PENTYL]-2-[(4-THIOPHEN-3-YLPHENYL)METHYL]HYDRAZINYL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE | non-polymer | 707.9 | 1 | Chemie (G40) | |||
| 3 | D, E (A, B) | water | water | 18.0 | 142 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: P03366)
| PDB | External Database | Details |
|---|---|---|
| Pro 63 | Leu 563 | engineered mutation |
| Thr 82 | Val 582 | engineered mutation |
| Val 84 | Ile 584 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21551.3 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 707.9 | |
| All* | Total formula weight | 22259.2 |
