PDB-code
| Kinase structure | |
| Kinase: | IRAK3 |
| Family: | IRAK |
| Group: | TKL |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2044 |
| PDB: | 6ZIW |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2020-07-22 |
| Chain: | I |
| Orthosteric ligand: | AGS |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 54.5° (16.3Å) |
| G-rich loop rotation: | 50.3° |
| Quality Score: | 8 |
| Resolution: | 2.18 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 20 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-II | Cluster I1 I5 | Ligand No No | Protein Yes Yes |
| Pocket alignment | |
| Uniprot sequence: | FLIGEGEIFEVYRYAVKLFRFLSELEVLLLFHPNILELAAYCLIYPYMRNGTLFDRLQCNVQPCSVICGSISSANILLLTDFAMA |
| Sequence structure: | FLIGEGEIFEVYRYAVKLFRFLSELEVLLLFHPNILELAAYCLIYPYMRNGTLFDRLQCNVQPCSVICGSISSANILLLTDFAMA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL131890 |
| 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 F 169 | 2 L 170 | 3 I 171 | 4 G 172 | 5 E 173 | 6 G 174 | 7 E 175 | 8 I 176 | 9 F 177 | 10 E 178 | 11 V 179 | 12 Y 180 | 13 R 181 | 14 Y 189 | 15 A 190 | 16 V 191 | 17 K 192 | 18 L 193 | 19 F 194 | 20 R 208 |
| • | • | • | •• | •• | • | • | • | •• | |||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 209 | 22 L 210 | 23 S 211 | 24 E 212 | 25 L 213 | 26 E 214 | 27 V 215 | 28 L 216 | 29 L 217 | 30 L 218 | 31 F 219 | 32 H 220 | 33 P 222 | 34 N 223 | 35 I 224 | 36 L 225 | 37 E 226 | 38 L 227 | 39 A 228 | 40 A 229 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 Y 230 | 42 C 238 | 43 L 239 | 44 I 240 | 45 Y 241 | 46 P 242 | 47 Y 243 | 48 M 244 | 49 R 245 | 50 N 246 | 51 G 247 | 52 T 248 | 53 L 249 | 54 F 250 | 55 D 251 | 56 R 252 | 57 L 253 | 58 Q 254 | 59 C 255 | 60 N 283 |
| • | •• | •• | |||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 V 284 | 62 Q 285 | 63 P 286 | 64 C 287 | 65 S 288 | 66 V 289 | 67 I 290 | 68 C 291 | 69 G 292 | 70 S 293 | 71 I 294 | 72 S 295 | 73 S 296 | 74 A 297 | 75 N 298 | 76 I 299 | 77 L 300 | 78 L 301 | 79 L 309 | 80 T 310 |
| • | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 311 | 82 F 312 | 83 A 313 | 84 M 314 | 85 A 315 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
