8T5B
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor EKC-110
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Integrase | polymer | 155 | 17011.5 | 2 | UniProt (P12497) Pfam (PF00665) | Human immunodeficiency virus 1 | IN |
| 2 | C, D (C, D) | Integrase | polymer | 57 | 6574.6 | 2 | UniProt (P12497) Pfam (PF00552) | Human immunodeficiency virus 1 | IN |
| 3 | E, G (A, B) | (2S)-tert-butoxy{4-(4-chlorophenyl)-2,6-dimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid | non-polymer | 481.0 | 2 | Chemie (QD6) | |||
| 4 | F, H (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 5 | I, J, K, L (A, B, C, D) | water | water | 18.0 | 82 | Chemie (HOH) |
Sequence modifications
A, B: 57 - 211 (UniProt: P12497)
C, D: 221 - 277 (UniProt: P12497)
| PDB | External Database | Details |
|---|---|---|
| Lys 185 | Phe 1332 | conflict |
| PDB | External Database | Details |
|---|---|---|
| Glu 243 | Trp 1390 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 47172.2 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1010.6 | |
| All* | Total formula weight | 48182.7 |
