PDB-code
| Kinase structure | |
| Kinase: | WNK1 (Wnk1) |
| Family: | WNK |
| Group: | Other |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2280 |
| PDB: | 5WE8 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2017-08-16 |
| PubMed: | 28771350 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | ANP |
 | |
| More entries for 5WE8 | |||||
| 5WE8 | Alternative model: | A | Chain: | A | |
| 5WE8 | Alternative model: | A | Chain: | B | |
| 5WE8 | Alternative model: | B | Chain: | B | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | 57.6° (16.5Å) |
| G-rich loop rotation: | 35.3° |
| Quality Score: | 8 |
| Resolution: | 2.01 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate back | BP-I-B BP-II-in BP-II-A-in BP-V | Cluster I3 I6 I7 I11 | Ligand No Yes Yes Yes | Protein Yes Yes Yes Yes |
| Pocket alignment | |
| Uniprot sequence: | IEIGRGSFKTVYKVAWCELRFKEEAEMLKGLQPNIVRFYDSVLVTELMTSGTLKTYLKRHTRTPPIIHRDLKCDNIFIIGDLGLA |
| Sequence structure: | IEIGRGSFKTVYKVAWCELRFKEEAEMLKGLQPNIVRFYDSVLVTELMTSGTLKTYLKRHTRTPPIIHRDLKCDNIFIIGDLGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL1230989 |
| Bioaffinities: | No (p)Ki/(p)IC50/(p)EC50 values for kinases found (confidence ≥ 8). |
Kinase-ligand interaction pattern
• Hydrophobic • Aromatic face-to-face • Aromatic face-to-edge • H-bond donor • H-bond acceptor • Ionic positive • Ionic negative
| I | g.l | II | III | αC | |||||||||||||||
| 1 I 225 | 2 E 226 | 3 I 227 | 4 G 228 | 5 R 229 | 6 G 230 | 7 S 231 | 8 F 232 | 9 K 233 | 10 T 234 | 11 V 235 | 12 Y 236 | 13 K 237 | 14 V 247 | 15 A 248 | 16 W 249 | 17 C 250 | 18 E 251 | 19 L 252 | 20 R 264 |
| • | • | • | • | •• | • | • | • | ||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 265 | 22 K 266 | 23 E 267 | 24 E 268 | 25 A 269 | 26 E 270 | 27 M 271 | 28 L 272 | 29 K 273 | 30 G 274 | 31 L 275 | 32 Q 276 | 33 P 278 | 34 N 279 | 35 I 280 | 36 V 281 | 37 R 282 | 38 F 283 | 39 Y 284 | 40 D 285 |
| • | ••• | • | • | • | • | •• | |||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 S 286 | 42 V 298 | 43 L 299 | 44 V 300 | 45 T 301 | 46 E 302 | 47 L 303 | 48 M 304 | 49 T 305 | 50 S 306 | 51 G 307 | 52 T 308 | 53 L 309 | 54 K 310 | 55 T 311 | 56 Y 312 | 57 L 313 | 58 K 314 | 59 R 315 | 60 H 339 |
| • | • | • | • | •• | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 T 340 | 62 R 341 | 63 T 342 | 64 P 343 | 65 P 344 | 66 I 345 | 67 I 346 | 68 H 347 | 69 R 348 | 70 D 349 | 71 L 350 | 72 K 351 | 73 C 352 | 74 D 353 | 75 N 354 | 76 I 355 | 77 F 356 | 78 I 357 | 79 I 366 | 80 G 367 |
| • | • | •• | • | ||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 368 | 82 L 369 | 83 G 370 | 84 L 371 | 85 A 372 | |||||||||||||||
| • | • | • | • | ||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
