8CTA
Minimal 2:2 Ternary Complex between BI-224436 bound HIV-1 Integrase Catalytic Core Domain Dimer and Carboxy Terminal Domains
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, E, F, I... (A, B, E, F, I...) | Integrase | polymer | 161 | 17580.0 | 8 | UniProt (Q72498) Pfam (PF00665) UniProt (by SIFTS) (P12497) | Human immunodeficiency virus 1 | |
| 2 | C, D, G, H, K... (C, D, G, H, K...) | Integrase | polymer | 53 | 6228.2 | 8 | UniProt (Q72498) Pfam (PF00552) UniProt (by SIFTS) (P12497) | Human immunodeficiency virus 1 | |
| 3 | CA, JA, LA, Q, S... (F, I, J, A, B...) | (2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid | non-polymer | 442.5 | 8 | Chemie (L3D) | |||
| 4 | AA, BA, DA, EA, FA... (E, F, G, H, I...) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 27 | Chemie (EDO) | |||
| 5 | AB, BB, CB, DB, EB... (B, D, E, F, H...) | water | water | 18.0 | 65 | Chemie (HOH) |
Sequence modifications
A, B, E, F, I, J, M, N: 51 - 210 (UniProt: Q72498)
C, D, G, H, K, L, O, P: 220 - 271 (UniProt: Q72498)
| PDB | External Database | Details |
|---|---|---|
| Gly 50 | - | expression tag |
| Lys 185 | Phe 900 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Gly 219 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 16 |
| Total formula weight | 190466.1 | |
| Non-Polymers* | Number of molecules | 35 |
| Total formula weight | 5215.9 | |
| All* | Total formula weight | 195682.0 |
