2FGU
X-ray crystal structure of HIV-1 Protease T80S variant in complex with the inhibitor saquinavir used to explore the role of invariant Thr80 in HIV-1 protease structure, function, and viral infectivity.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Protease | polymer | 99 | 10787.7 | 2 | UniProt (O38716) Pfam (PF00077) UniProt (by SIFTS) (P03369) In PDB | Human immunodeficiency virus 1 | Retropepsin, PR |
| 2 | A, B | PHOSPHATE ION | non-polymer | 95.0 | 5 | Chemie (PO4) | |||
| 3 | A | quinoline-2-carboxylic acid | non-polymer | 173.2 | 1 | Chemie (QNC) | |||
| 4 | A | ASPARAGINE | non-polymer | 132.1 | 1 | Chemie (ASN) | |||
| 5 | A | (2S)-2-amino-3-phenylpropane-1,1-diol | non-polymer | 167.2 | 1 | Chemie (HPH) | |||
| 6 | A | 2-METHYL-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID | non-polymer | 197.3 | 1 | Chemie (DIQ) | |||
| 7 | A | TERTIARY-BUTYLAMINE | non-polymer | 73.1 | 1 | Chemie (NTB) | |||
| 8 | water | water | 18.0 | 130 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: O38716)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 7 | engineered mutation |
| Val 64 | Ile 64 | engineered mutation |
| Ser 80 | Thr 80 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21575.5 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 1217.8 | |
| All* | Total formula weight | 22793.2 |
