3AVN
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 | Integrase | polymer | 183 | 20044.7 | 2 | UniProt (P12497) Pfam (PF00665) In PDB | Human immunodeficiency virus type 1 (HIV-1) | IN |
2 | G, H | LEDGF peptide | polymer | 8 | 943.0 | 2 | BIRD (PRD_000827) | Homo sapiens | lens epithelial derived growth factor peptide |
3 | A, B | SULFATE ION | non-polymer | 96.1 | 8 | Chemie (SO4) | |||
4 | A, B | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
5 | B | ACETIC ACID | non-polymer | 60.1 | 2 | Chemie (ACY) | |||
6 | water | water | 18.0 | 105 | 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 | 41975.4 | |
Non-Polymers* | Number of molecules | 12 |
Total formula weight | 959.5 | |
All* | Total formula weight | 42934.9 |