3OXX
Crystal Structure of HIV-1 I50V, A71V Protease in Complex with the Protease Inhibitor Atazanavir
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 (B, A, C, D) | HIV-1 PROTEASE | polymer | 99 | 10815.8 | 4 | UniProt (P03369) Pfam (PF00077) | HIV-1 M:B_ARV2/SF2 (HIV-1) | Retropepsin, PR |
| 2 | E, F, L, O, P... (B, A, C, D) | GLYCEROL | non-polymer | 92.1 | 6 | Chemie (GOL) PubChem (753) | |||
| 3 | G, M, V (B, A, D) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
| 4 | H, I, J, Q, R... (B, C, D) | ACETATE ION | non-polymer | 59.0 | 6 | Chemie (ACT) PubChem (175) | |||
| 5 | K, N (A, C) | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER | non-polymer | 704.9 | 2 | Chemie (DR7) PubChem (148192) PubChem (21696352) PubChem (22940470) PubChem (44182297) PubChem (22940469) PubChem (53667683) PubChem (56971648) PubChem (59651325) PubChem (60098916) PubChem (71306984) PubChem (92402749) PubChem (93971971) PubChem (93971973) PubChem (6101863) PubChem (6540550) PubChem (6540690) PubChem (9962872) PubChem (131839569) PubChem (134694218) PubChem (66587081) PubChem (71313511) PubChem (90944682) PubChem (93971972) PubChem (99650408) PubChem (124636677) PubChem (138393803) PubChem (138393804) PubChem (144108234) PubChem (144517104) PubChem (173493799) | |||
| 6 | T (D) | PHOSPHATE ION | non-polymer | 95.0 | 1 | Chemie (PO4) PubChem (1061) | |||
| 7 | W, X, Y, Z (B, A, C, D) | water | water | 18.0 | 148 | Chemie (HOH) |
Sequence modifications
B, A, C, D: 1 - 99 (UniProt: P03369)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 497 | engineered mutation |
| Val 50 | Ile 540 | engineered mutation |
| Val 71 | Ala 561 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 43263.2 | |
| Non-Polymers* | Number of molecules | 18 |
| Total formula weight | 2597.7 | |
| All* | Total formula weight | 45860.9 |
