5KGX
HIV1 catalytic core domain in complex with an inhibitor (2~{S})-2-[3-(3,4-dihydro-2~{H}-chromen-6-yl)-1-methyl-indol-2-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic 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 | 163 | 18182.5 | 1 | UniProt (Q76353) Pfam (PF00665) UniProt (by SIFTS) (P12497) | Human immunodeficiency virus 1 | |
| 2 | B (A) | (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-methyl-1H-indol-2-yl]acetic acid | non-polymer | 393.5 | 1 | Chemie (7SK) | |||
| 3 | C (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 4 | D (A) | water | water | 18.0 | 12 | Chemie (HOH) |
Sequence modifications
A: 50 - 212 (UniProt: Q76353)
| PDB | External Database | Details |
|---|---|---|
| Thr 128 | Ala 128 | engineered mutation |
| Lys 185 | Phe 185 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 18182.5 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 489.5 | |
| All* | Total formula weight | 18672.0 |
