8CBV
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT916
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B, C, D | Integrase | polymer | 233 | 25904.5 | 4 | UniProt (P12497) Pfam (PF00665) In PDB | Human immunodeficiency virus 1 | IN |
2 | B, C, D | 1,2-ETHANEDIOL | non-polymer | 62.1 | 10 | Chemie (EDO) | |||
3 | B | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
4 | B, D | (2~{S})-2-[3-cyclopropyl-2-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-cyclopropyloxy-ethanoic acid | non-polymer | 410.5 | 2 | Chemie (U5S) | |||
5 | B, D | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
6 | C | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
7 | water | water | 18.0 | 193 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 220 - 288 (UniProt: P12497)
A, B, C, D: 289 - 451 (UniProt: P12497)
PDB | External Database | Details |
---|---|---|
Ser 219 | - | expression tag |
Glu 243 | Trp 1390 | engineered mutation |
PDB | External Database | Details |
---|---|---|
Lys 424 | Phe 1332 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 4 |
Total formula weight | 103618.1 | |
Non-Polymers* | Number of molecules | 16 |
Total formula weight | 1631.8 | |
All* | Total formula weight | 105250.0 |