3D1Z
Crystal structure of HIV-1 mutant I54M and inhibitor DARUNAVIR
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 | 10758.7 | 2 | UniProt (P04587) Pfam (PF00077) In PDB | Human immunodeficiency virus type 1 (HIV-1) | Retropepsin, PR |
| 2 | A, B | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 3 | B | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE | non-polymer | 547.7 | 1 | Chemie (017) | |||
| 4 | B | ACETIC ACID | non-polymer | 60.1 | 1 | Chemie (ACY) | |||
| 5 | water | water | 18.0 | 188 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: P04587)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 507 | SEE REMARK 999 |
| Ile 33 | Leu 533 | SEE REMARK 999 |
| Met 54 | Ile 554 | engineered mutation |
| Ile 63 | Leu 563 | SEE REMARK 999 |
| Ala 67 | Cys 567 | SEE REMARK 999 |
| Ala 95 | Cys 595 | SEE REMARK 999 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21517.4 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 714.1 | |
| All* | Total formula weight | 22231.5 |
