4JEC
Joint neutron and X-ray structure of per-deuterated HIV-1 protease in complex with clinical inhibitor amprenavir
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | HIV-1 protease | polymer | 99 | 10740.7 | 2 | UniProt (P03367) Pfam (PF00077) In PDB | Human immunodeficiency virus type 1 (HIV-1) | Protease, PR, Retropepsin |
| 2 | A | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 3 | B | {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER | non-polymer | 505.6 | 1 | Chemie (478) | |||
| 4 | water | water | 18.0 | 131 | Chemie (DOD) |
Sequence modifications
A, B: 1 - 99 (UniProt: P03367)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 507 | engineered mutation |
| Ile 33 | Leu 533 | engineered mutation |
| Ile 63 | Leu 563 | engineered mutation |
| Ala 67 | Cys 567 | engineered mutation |
| Ala 95 | Cys 595 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21481.4 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 541.1 | |
| All* | Total formula weight | 22022.4 |
