7D83
Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-(2-(3-cyclohexylureido)-3,6-dimethyl-5-(5-methylchroman-6-yl)pyridin-4-yl)acetic 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 | 166 | 18434.7 | 1 | UniProt (P12497) Pfam (PF00665) | Human immunodeficiency virus type 1 group M subtype B (isolate NY5) (HIV-1) | |
| 2 | B, C, D (A) | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 3 | E (A) | (2S)-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2H-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid | non-polymer | 523.7 | 1 | Chemie (GZ9) | |||
| 4 | F (A) | water | water | 18.0 | 15 | 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 |
| Lys 185 | Phe 1332 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 18434.7 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 811.9 | |
| All* | Total formula weight | 19246.6 |
