4EPJ
Crystal Structure of inactive single chain wild-type HIV-1 Protease in Complex with the substrate p2-NC
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | protease, tethered dimer | polymer | 203 | 22005.0 | 1 | UniProt (P03369) Pfam (PF00077) | HIV-1 M:B_ARV2/SF2 (HIV-1) | |
| 2 | B (D) | substrate p2-NC | polymer | 8 | 908.1 | 1 | UniProt (Q9YP46) | Human immunodeficiency virus 1 | |
| 3 | C, F (A) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 4 | D (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 5 | E (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 6 | G (A) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 7 | H (A) | BETA-MERCAPTOETHANOL | non-polymer | 78.1 | 1 | Chemie (BME) | |||
| 8 | I, J (A, D) | water | water | 18.0 | 68 | Chemie (HOH) |
Sequence modifications
A: 1 - 99 (UniProt: P03369)
A: 101 - 199 (UniProt: P03369)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 497 | engineered mutation |
| Asn 25 | Asp 515 | engineered mutation |
| Leu 67 | Cys 557 | engineered mutation |
| Met 95 | Cys 585 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Gly 99 | - | linker |
| Gly 99 | - | linker |
| Ser 99 | - | linker |
| Ser 99 | - | linker |
| Gly 99 | - | linker |
| Lys 107 | Gln 497 | engineered mutation |
| Asn 125 | Asp 515 | engineered mutation |
| Leu 167 | Cys 557 | engineered mutation |
| Met 195 | Cys 585 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 22913.1 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 461.6 | |
| All* | Total formula weight | 23374.7 |
