3ORX
PDK1 mutant bound to allosteric disulfide fragment inhibitor 1F8
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, E... (A, B, C, D, E...) | 3-phosphoinositide-dependent protein kinase 1 | polymer | 316 | 36177.5 | 8 | UniProt (O15530) Pfam (PF00069) | Homo sapiens (human) | hPDK1 |
| 2 | I, K, M, O, Q... (A, B, C, D, E...) | 2-methyl-N-(2-sulfanylethyl)-1-benzofuran-3-carboxamide | non-polymer | 235.3 | 8 | Chemie (1F8) | |||
| 3 | J, L, N, P (A, B, C, D) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
| 4 | AA, BA, U, V, W... (G, H, A, B, C...) | water | water | 18.0 | 1294 | Chemie (HOH) |
Sequence modifications
A, B, C, D, E, F, G, H: 51 - 359 (UniProt: O15530)
| PDB | External Database | Details |
|---|---|---|
| Gly 44 | - | expression tag |
| Ala 45 | - | expression tag |
| Met 46 | - | expression tag |
| Asp 47 | - | expression tag |
| Pro 48 | - | expression tag |
| Glu 49 | - | expression tag |
| Phe 50 | - | expression tag |
| Cys 148 | Thr 148 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 8 |
| Total formula weight | 289419.7 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 2024.2 | |
| All* | Total formula weight | 291443.9 |
