7SIA
HIV Integrase core domain in complex with inhibitor 2-[2-(2-{3-[(4-{2-[(3-{2-[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}phenyl)formamido]ethyl}piperazin-1-yl)methyl]phenyl}ethynyl)-5-methyl-1-benzofuran-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, B (A, B) | Integrase | polymer | 161 | 17655.1 | 2 | UniProt (Q76353) Pfam (PF00665) UniProt (by SIFTS) (P12497) | Human immunodeficiency virus 1 (HIV-1) | |
| 2 | C (A) | (2-{[3-({4-[2-(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzamido)ethyl]piperazin-1-yl}methyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid | non-polymer | 747.8 | 1 | Chemie (9I4) | |||
| 3 | D, E, H, I (A, B) | IODIDE ION | non-polymer | 126.9 | 4 | Chemie (IOD) | |||
| 4 | F, G, J, K, L (A, B) | SULFATE ION | non-polymer | 96.1 | 5 | Chemie (SO4) | |||
| 5 | M, N (A, B) | water | water | 18.0 | 45 | Chemie (HOH) |
Sequence modifications
A, B: 50 - 212 (UniProt: Q76353)
| PDB | External Database | Details |
|---|---|---|
| Glu 53 | Gln 53 | conflict |
| Ser 56 | Cys 56 | conflict |
| Glu 131 | Trp 131 | conflict |
| Lys 185 | Phe 185 | conflict |
| Glu 209 | Gln 209 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 35310.1 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 1735.8 | |
| All* | Total formula weight | 37045.9 |
