5OI8
Dissociation of biochemical and antiretroviral activities of Integrase-LEDGF Allosteric Inhibitors revealed by resistance of A125 polymorphic HIV-1
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Pol protein | polymer | 182 | 20079.6 | 1 | UniProt (I0BY59) UniProt (by SIFTS) (P03366) | Human immunodeficiency virus 1 | |
| 2 | B (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 3 | C (A) | (2~{S})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-4-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid | non-polymer | 413.6 | 1 | Chemie (9VN) | |||
| 4 | D (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 5 | E (A) | water | water | 18.0 | 89 | Chemie (HOH) |
Sequence modifications
A: 50 - 212 (UniProt: I0BY59)
| PDB | External Database | Details |
|---|---|---|
| Met 31 | - | initiating methionine |
| Gly 32 | - | expression tag |
| Ser 33 | - | expression tag |
| Ser 34 | - | expression tag |
| His 35 | - | expression tag |
| His 36 | - | expression tag |
| His 37 | - | expression tag |
| His 38 | - | expression tag |
| His 39 | - | expression tag |
| His 40 | - | expression tag |
| Ser 41 | - | expression tag |
| Ser 42 | - | expression tag |
| Gly 43 | - | expression tag |
| Leu 44 | - | expression tag |
| Val 45 | - | expression tag |
| Pro 46 | - | expression tag |
| Arg 47 | - | expression tag |
| Gly 48 | - | expression tag |
| Ser 49 | - | expression tag |
| Ala 124 | Thr 124 | conflict |
| Lys 185 | Phe 185 | conflict |
| Thr 206 | Ser 206 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 20079.6 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 533.9 | |
| All* | Total formula weight | 20613.5 |
