PDB-code
| Kinase structure | |
| Kinase: | GRK4 (GPRK4) |
| Family: | GRK |
| Group: | AGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1468 |
| PDB: | 4YHJ |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2015-07-08 |
| PubMed: | 26134571 |
| Chain: | A |
| Orthosteric ligand: | AN2 |
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| More entries for 4YHJ | |||
| 4YHJ | Chain: | B | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 65.5° (19.1Å) |
| G-rich loop rotation: | 79° |
| Quality Score: | 8 |
| Resolution: | 2.6 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-II | Cluster I5 I6 | Ligand No Yes | Protein Yes Yes |
| Pocket alignment | |
| Uniprot sequence: | RVLGKGGFGEVCAYACKKLMALNEKRILEKVQRFVVSLAYACLVLTIMNGGDLKFHIYNDLQRERIVYRDLKPENILLISDLGLA |
| Sequence structure: | RVLGKGGFGEVCAYACKKLMALNEKRILEKVQRFVVSLAYACLVLTIMNGGDLKFHIYNDLQRERIVYRDLKPENILLISDLGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL574810 |
| 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 R 191 | 2 V 192 | 3 L 193 | 4 G 194 | 5 K 195 | 6 G 196 | 7 G 197 | 8 F 198 | 9 G 199 | 10 E 200 | 11 V 201 | 12 C 202 | 13 A 203 | 14 Y 213 | 15 A 214 | 16 C 215 | 17 K 216 | 18 K 217 | 19 L 218 | 20 M 231 |
| • | • | • | • | • | • | • | |||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 A 232 | 22 L 233 | 23 N 234 | 24 E 235 | 25 K 236 | 26 R 237 | 27 I 238 | 28 L 239 | 29 E 240 | 30 K 241 | 31 V 242 | 32 Q 243 | 33 R 245 | 34 F 246 | 35 V 247 | 36 V 248 | 37 S 249 | 38 L 250 | 39 A 251 | 40 Y 252 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 253 | 42 C 261 | 43 L 262 | 44 V 263 | 45 L 264 | 46 T 265 | 47 I 266 | 48 M 267 | 49 N 268 | 50 G 269 | 51 G 270 | 52 D 271 | 53 L 272 | 54 K 273 | 55 F 274 | 56 H 275 | 57 I 276 | 58 Y 277 | 59 N 278 | 60 D 302 |
| • | • | •• | |||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 303 | 62 Q 304 | 63 R 305 | 64 E 306 | 65 R 307 | 66 I 308 | 67 V 309 | 68 Y 310 | 69 R 311 | 70 D 312 | 71 L 313 | 72 K 314 | 73 P 315 | 74 E 316 | 75 N 317 | 76 I 318 | 77 L 319 | 78 L 320 | 79 I 328 | 80 S 329 |
| • | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 330 | 82 L 331 | 83 G 332 | 84 L 333 | 85 A 334 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
