8CBU
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT884
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D | Integrase | polymer | 233 | 25904.5 | 4 | UniProt (P12497) Pfam (PF00665) In PDB | Human immunodeficiency virus 1 | IN |
| 2 | A | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 3 | B, C, D | 1,2-ETHANEDIOL | non-polymer | 62.1 | 7 | Chemie (EDO) | |||
| 4 | B, D | (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxy-ethanoic acid | non-polymer | 392.5 | 2 | Chemie (U60) | |||
| 5 | B, D | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 6 | D | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 1 | Chemie (PGE) | |||
| 7 | water | water | 18.0 | 122 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 220 - 288 (UniProt: P12497)
A, B, C, D: 289 - 451 (UniProt: P12497)
| PDB | External Database | Details |
|---|---|---|
| Ser 219 | - | expression tag |
| Glu 243 | Trp 1390 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Lys 424 | Phe 1332 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 103618.1 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 1453.7 | |
| All* | Total formula weight | 105071.8 |
