20XX
HIV-1 integrase core domain in complex with potent allosteric inhibitors
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Integrase | polymer | 166 | 18443.7 | 1 | UniProt (P12497) | Human immunodeficiency virus type 1 (NEW YORK-5 ISOLATE) | IN |
| 2 | B (A) | (2~{S})-2-[(3~{a}~{R},7~{a}~{R})-1'-ethyl-5'-methyl-spiro[1,3,3~{a},4,5,6,7,7~{a}-octahydroindene-2,3'-indene]-4'-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid | non-polymer | 396.6 | 1 | Chemie (A1MCX) | |||
| 3 | C (A) | PENTAETHYLENE GLYCOL | non-polymer | 238.3 | 1 | Chemie (1PE) | |||
| 4 | D, E, F (A) | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 5 | G (A) | water | water | 18.0 | 44 | Chemie (HOH) |
Sequence modifications
A: 50 - 212 (UniProt: P12497)
| PDB | External Database | Details |
|---|---|---|
| Gly 47 | - | expression tag |
| Ser 48 | - | expression tag |
| His 49 | - | expression tag |
| His 185 | Phe 1332 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 18443.7 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 923.0 | |
| All* | Total formula weight | 19366.7 |
