PDB-code
| Kinase structure | |
| Kinase: | ACVR2B (ACTR2B) |
| Family: | STKR |
| Group: | TKL |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1792 |
| PDB: | 2QLU |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2007-11-20 |
| PubMed: | 17893364 |
| Chain: | A |
| Orthosteric ligand: | ADE |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 49.5° (14.6Å) |
| G-rich loop rotation: | 52.6° |
| Quality Score: | 8 |
| Resolution: | 2 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I1 I3 I5 | Ligand No No No | Protein Yes Yes Yes | |
| Pocket alignment | |
| Uniprot sequence: | EIKARGRFGCVWKVAVKIFSWQSEREIFSTPGENLLQFIAAWLITAFHDKGSLTDYLKGEGHKPSIAHRDFKSKNVLLLADFGLA |
| Sequence structure: | EIKARGRFGCVWKVAVKIFSWQSEREIFSTPGENLLQFIAAWLITAFHDKGSLTDYLKGEGHKPSIAHRDFKSKNVLLLADFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL226345 |
| 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 E 194 | 2 I 195 | 3 K 196 | 4 A 197 | 5 R 198 | 6 G 199 | 7 R 200 | 8 F 201 | 9 G 202 | 10 C 203 | 11 V 204 | 12 W 205 | 13 K 206 | 14 V 214 | 15 A 215 | 16 V 216 | 17 K 217 | 18 I 218 | 19 F 219 | 20 S 226 |
| • | • | ||||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 W 227 | 22 Q 228 | 23 S 229 | 24 E 230 | 25 R 231 | 26 E 232 | 27 I 233 | 28 F 234 | 29 S 235 | 30 T 236 | 31 P 237 | 32 G 238 | 33 E 242 | 34 N 243 | 35 L 244 | 36 L 245 | 37 Q 246 | 38 F 247 | 39 I 248 | 40 A 249 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 250 | 42 W 262 | 43 L 263 | 44 I 264 | 45 T 265 | 46 A 266 | 47 F 267 | 48 H 268 | 49 D 269 | 50 K 270 | 51 G 271 | 52 S 272 | 53 L 273 | 54 T 274 | 55 D 275 | 56 Y 276 | 57 L 277 | 58 K 278 | 59 G 279 | 60 E 311 |
| •• | •• | •• | • | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 G 312 | 62 H 313 | 63 K 314 | 64 P 315 | 65 S 316 | 66 I 317 | 67 A 318 | 68 H 319 | 69 R 320 | 70 D 321 | 71 F 322 | 72 K 323 | 73 S 324 | 74 K 325 | 75 N 326 | 76 V 327 | 77 L 328 | 78 L 329 | 79 L 337 | 80 A 338 |
| • | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 339 | 82 F 340 | 83 G 341 | 84 L 342 | 85 A 343 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
