3EKY
Crystal Structure of wild-type HIV protease in complex with the 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 (A, B) | Protease | polymer | 99 | 10815.8 | 2 | UniProt (P03369) Pfam (PF00077) | HIV-1 M:B_ARV2/SF2 (HIV-1) | Retropepsin, PR |
| 2 | C (A) | (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 | 1 | Chemie (DR7) PubChem (21696352) PubChem (22940470) PubChem (22940469) PubChem (53667683) PubChem (56971648) PubChem (44182297) 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 (148192) PubChem (124636677) PubChem (138393803) PubChem (138393804) PubChem (144108234) PubChem (144517104) PubChem (173493799) | |||
| 3 | D, E, F, G (A, B) | PHOSPHATE ION | non-polymer | 95.0 | 4 | Chemie (PO4) PubChem (1061) | |||
| 4 | H, I (A, B) | water | water | 18.0 | 201 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: P03369)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 497 | engineered mutation |
| Ile 64 | Val 554 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21631.6 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1084.7 | |
| All* | Total formula weight | 22716.3 |
