PDB-code
| Kinase structure | |
| Kinase: | IRAK4 |
| Family: | IRAK |
| Group: | TKL |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2045 |
| PDB: | 5K7I |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2017-12-06 |
| PubMed: | 29172502 |
| Chain: | B |
| Orthosteric ligand: | 6QZ |
 | |
| More entries for 5K7I | |||
| 5K7I | Chain: | A | |
| Structural information | |
| DFG conformation: | out-like |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | 56.2° (14.4Å) |
| G-rich loop rotation: | 97.7° |
| Quality Score: | 8 |
| Resolution: | 2.31 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I2 I3 I7 | Ligand No Yes Yes | Protein Yes No No | |
| Pocket alignment | |
| Uniprot sequence: | NKMGEGGFGVVYKVAVKKLQFDQEIKVMAKCQENLVELLGFCLVYVYMPNGSLLDRLSCFLHENHHIHRDIKSANILLISDFGLA |
| Sequence structure: | NKMGEGGFGVVYKVAVKKLQFDQEIKVMAKCQENLVELLGFCLVYVYMPNGSLLDRLSCFLHENHHIHRDIKSANILLISDFGLA |
| Ligand affinity | |
| Ligand not found in ChEMBL. | |
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 N 190 | 2 K 191 | 3 M 192 | 4 G 193 | 5 E 194 | 6 G 197 | 7 G 198 | 8 F 199 | 9 G 200 | 10 V 201 | 11 V 202 | 12 Y 210 | 13 K 211 | 14 V 212 | 15 A 213 | 16 V 214 | 17 K 215 | 18 K 229 | 19 L 230 | 20 Q 231 |
| • | • | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 232 | 22 D 233 | 23 Q 234 | 24 E 235 | 25 I 236 | 26 K 237 | 27 V 238 | 28 M 239 | 29 A 240 | 30 K 241 | 31 C 243 | 32 Q 244 | 33 E 245 | 34 N 246 | 35 L 247 | 36 V 248 | 37 E 249 | 38 L 250 | 39 L 251 | 40 G 259 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 F 260 | 42 C 261 | 43 L 262 | 44 V 263 | 45 Y 264 | 46 V 265 | 47 Y 266 | 48 M 267 | 49 P 268 | 50 N 269 | 51 G 270 | 52 S 271 | 53 L 272 | 54 L 273 | 55 D 274 | 56 R 275 | 57 L 276 | 58 S 301 | 59 C 302 | 60 F 303 |
| •• | • | •• | •• | • | • | • | |||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 304 | 62 H 305 | 63 E 306 | 64 N 307 | 65 H 308 | 66 H 309 | 67 I 310 | 68 H 311 | 69 R 312 | 70 D 313 | 71 I 314 | 72 K 315 | 73 S 316 | 74 A 317 | 75 N 318 | 76 I 319 | 77 L 327 | 78 L 328 | 79 I 329 | 80 S 330 |
| • | • | • | |||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 331 | 82 F 332 | 83 G 333 | 84 L _ | 85 A _ | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
