PDB-code
| Kinase structure | |
| Kinase: | GRK5 (GPRK5) |
| Family: | GRK |
| Group: | AGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1469 |
| PDB: | 4TND |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2015-06-10 |
| PubMed: | 26032409 |
| Chain: | A |
| Orthosteric ligand: | ANP |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 63.2° (18.6Å) |
| G-rich loop rotation: | 61.3° |
| Quality Score: | 8 |
| Resolution: | 1.8 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-II | Cluster I1 I2 I3 I5 I6 I7 I10 I11 | Ligand Yes Yes No No Yes Yes No No | Protein Yes Yes Yes Yes Yes Yes Yes Yes |
| Pocket alignment | |
| Uniprot sequence: | RVLGKGGFGEVCAYACKRLMALNEKQILEKVNQFVVNLAYACLVLTIMNGGDLKFHIYNDLHRENTVYRDLKPENILLISDLGLA |
| Sequence structure: | RVLGKGGFGEVCAYACKRLMALNEKQILEKVNQFVVNLAYACLVLTIMNGGDLKFHIYNDLHHENTVYRDLKPENILLISDLGLA |
| 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 R 190 | 2 V 191 | 3 L 192 | 4 G 193 | 5 K 194 | 6 G 195 | 7 G 196 | 8 F 197 | 9 G 198 | 10 E 199 | 11 V 200 | 12 C 201 | 13 A 202 | 14 Y 212 | 15 A 213 | 16 C 214 | 17 K 215 | 18 R 216 | 19 L 217 | 20 M 230 |
| • | • | • | • | • | • | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 A 231 | 22 L 232 | 23 N 233 | 24 E 234 | 25 K 235 | 26 Q 236 | 27 I 237 | 28 L 238 | 29 E 239 | 30 K 240 | 31 V 241 | 32 N 242 | 33 Q 244 | 34 F 245 | 35 V 246 | 36 V 247 | 37 N 248 | 38 L 249 | 39 A 250 | 40 Y 251 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 252 | 42 C 260 | 43 L 261 | 44 V 262 | 45 L 263 | 46 T 264 | 47 I 265 | 48 M 266 | 49 N 267 | 50 G 268 | 51 G 269 | 52 D 270 | 53 L 271 | 54 K 272 | 55 F 273 | 56 H 274 | 57 I 275 | 58 Y 276 | 59 N 277 | 60 D 301 |
| • | •• | ||||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 302 | 62 H 303 | 63 H 304 | 64 E 305 | 65 N 306 | 66 T 307 | 67 V 308 | 68 Y 309 | 69 R 310 | 70 D 311 | 71 L 312 | 72 K 313 | 73 P 314 | 74 E 315 | 75 N 316 | 76 I 317 | 77 L 318 | 78 L 319 | 79 I 327 | 80 S 328 |
| • | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 329 | 82 L 330 | 83 G 331 | 84 L 332 | 85 A 333 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
