4HE9
Crystal Structure of HIV-1 protease mutants I54M complexed with inhibitor GRL-0519
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 (P03367) Pfam (PF00077) In PDB | Human immunodeficiency virus type 1 (HIV-1) | PR, Retropepsin |
| 2 | A | (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate | non-polymer | 604.7 | 1 | Chemie (G52) | |||
| 3 | A | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 4 | A, B | CHLORIDE ION | non-polymer | 35.5 | 5 | Chemie (CL) | |||
| 5 | water | water | 18.0 | 243 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: P03367)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 507 | engineered mutation |
| Ile 33 | Leu 533 | engineered mutation |
| Met 54 | Ile 554 | 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 | 21517.4 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 805.0 | |
| All* | Total formula weight | 22322.4 |
