5KRS
HIV-1 Integrase Catalytic Core Domain in Complex with an Allosteric Inhibitor, 3-(1H-pyrrol-1-yl)-2-thiophenecarboxylic acid
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 | 153 | 16982.0 | 1 | UniProt (Q76353) Pfam (PF00665) UniProt (by SIFTS) (P12497) | Human immunodeficiency virus 1 | |
| 2 | B (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 3 | C, D (A) | 3-pyrrol-1-ylthiophene-2-carboxylic acid | non-polymer | 193.2 | 2 | Chemie (6XI) | |||
| 4 | E (A) | water | water | 18.0 | 136 | Chemie (HOH) |
Sequence modifications
A: 57 - 207 (UniProt: Q76353)
| PDB | External Database | Details |
|---|---|---|
| Asp 55 | - | expression tag |
| Ser 56 | - | expression tag |
| Lys 185 | Phe 185 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 16982.0 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 464.6 | |
| All* | Total formula weight | 17446.6 |
