5WE8
Crystal structure of WNK1 in complex with N-{(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-N-methylquinoline-4-carboxamide (compound 8)
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) | Serine/threonine-protein kinase WNK1 | polymer | 279 | 31893.9 | 2 | UniProt (Q9H4A3) Pfam (PF00069) | Homo sapiens (Human) | Erythrocyte 65 kDa protein, p65, Kinase deficient protein, Protein kinase lysine-deficient 1, Protein kinase with no lysine 1, hWNK1 |
| 2 | C, F (A, B) | MANGANESE (II) ION | non-polymer | 54.9 | 2 | Chemie (MN) | |||
| 3 | D, G (A, B) | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | non-polymer | 506.2 | 2 | Chemie (ANP) | |||
| 4 | E, H (A, B) | N-{(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-N-methylquinoline-4-carboxamide | non-polymer | 486.0 | 2 | Chemie (A7Y) | |||
| 5 | I, J (A, B) | water | water | 18.0 | 264 | Chemie (HOH) |
Sequence modifications
A, B: 206 - 483 (UniProt: Q9H4A3)
| PDB | External Database | Details |
|---|---|---|
| Gly 205 | - | expression tag |
| Asp 378 | Ser 378 | engineered mutation |
| Ala 396 | Glu 396 | engineered mutation |
| Ala 397 | Glu 397 | engineered mutation |
| Ala 398 | Lys 398 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 63787.8 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 2094.3 | |
| All* | Total formula weight | 65882.1 |
