3AV9
Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site
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 | 183 | 20044.7 | 2 | UniProt (P12497) Pfam (PF00665) | Human immunodeficiency virus type 1 (HIV-1) | IN |
| 2 | C, D (X, Y) | LEDGF peptide | polymer | 8 | 875.9 | 2 | BIRD (PRD_000817) | Homo sapiens | lens epithelial derived growth factor peptide |
| 3 | E, F, G, H, L... (A, B) | SULFATE ION | non-polymer | 96.1 | 8 | Chemie (SO4) | |||
| 4 | I, J, P, Q (A, B) | ACETIC ACID | non-polymer | 60.1 | 4 | Chemie (ACY) | |||
| 5 | K, R (A, B) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 6 | S, T, U (A, B, Y) | water | water | 18.0 | 177 | Chemie (HOH) |
Sequence modifications
A, B: 50 - 212 (UniProt: P12497)
| PDB | External Database | Details |
|---|---|---|
| Met 30 | - | expression tag |
| Gly 31 | - | expression tag |
| Ser 32 | - | expression tag |
| Ser 33 | - | expression tag |
| His 34 | - | expression tag |
| His 35 | - | expression tag |
| His 36 | - | expression tag |
| His 37 | - | expression tag |
| His 38 | - | expression tag |
| His 39 | - | expression tag |
| Ser 40 | - | expression tag |
| Ser 41 | - | expression tag |
| Gly 42 | - | expression tag |
| Leu 43 | - | expression tag |
| Val 44 | - | expression tag |
| Pro 45 | - | expression tag |
| Arg 46 | - | expression tag |
| Gly 47 | - | expression tag |
| Ser 48 | - | expression tag |
| His 49 | - | expression tag |
| Ser 56 | Cys 1203 | engineered mutation |
| Asp 139 | Phe 1286 | engineered mutation |
| His 185 | Phe 1332 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 41841.2 | |
| Non-Polymers* | Number of molecules | 14 |
| Total formula weight | 1079.6 | |
| All* | Total formula weight | 42920.9 |
