7WCE
Crystal structure of HIV-1 integrase catalytic core domain in complex with (2S)-2-(tert-Butoxy)-2-(10-fluoro-2-(2-hydroxy-4-methylphenyl)-1,4-dimethyl-5-(methylsulfonyl)-5,6-dihydrophenanthridin-3-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 | Integrase catalytic | polymer | 166 | 18434.7 | 1 | UniProt (P12497) Pfam (PF00665) In PDB | Human immunodeficiency virus type 1 (NEW YORK-5 ISOLATE) | |
| 2 | A | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 3 | A | (2S)-2-[10-fluoranyl-1,4-dimethyl-2-(4-methyl-2-oxidanyl-phenyl)-5-methylsulfonyl-6H-phenanthridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid | non-polymer | 541.6 | 1 | Chemie (8Z3) | |||
| 4 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 5 | water | water | 18.0 | 77 | 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 | 825.9 | |
| All* | Total formula weight | 19260.6 |
