PDB-code
| Kinase structure | |
| Kinase: | GRK2 (BARK1) |
| Family: | GRK |
| Group: | AGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1466 |
| PDB: | 5UKK |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2017-04-05 |
| PubMed: | 28323425 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | 8DJ |
 | |
| More entries for 5UKK | |||||
| 5UKK | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 56.7° (17.4Å) |
| G-rich loop rotation: | 64.1° |
| Quality Score: | 8 |
| Resolution: | 2.6 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-II | Cluster I4 I5 I11 | Ligand No No No | Protein Yes Yes Yes |
| Pocket alignment | |
| Uniprot sequence: | RIIGRGGFGEVYGYAMKCLLALNERIMLSLVSPFIVCMSYASFILDLMNGGDLHYHLSQHMHNRFVVYRDLKPANILLISDLGLA |
| Sequence structure: | RIIGRGGFGEVYGYAMKCLLALNERIMLSLVSPFIVCMSYASFILDLMNGGDLHYHLSQHMHNRFVVYRDLKPANILLISDLGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL4070885 |
| Bioaffinities: | 2 records for 2 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Bos taurus | Beta-adrenergic receptor kinase 1 | 6.2 | 6.2 | 6.2 | pIC50 | 1 |
| Bos taurus | G protein-coupled receptor kinase 5 | 4.8 | 4.8 | 4.8 | pIC50 | 1 |
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 195 | 2 I 196 | 3 I 197 | 4 G 198 | 5 R 199 | 6 G 200 | 7 G 201 | 8 F 202 | 9 G 203 | 10 E 204 | 11 V 205 | 12 Y 206 | 13 G 207 | 14 Y 217 | 15 A 218 | 16 M 219 | 17 K 220 | 18 C 221 | 19 L 222 | 20 L 235 |
| • | • | • | • | ••• | • | • | • | • | • | • | • | ||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 A 236 | 22 L 237 | 23 N 238 | 24 E 239 | 25 R 240 | 26 I 241 | 27 M 242 | 28 L 243 | 29 S 244 | 30 L 245 | 31 V 246 | 32 S 247 | 33 P 252 | 34 F 253 | 35 I 254 | 36 V 255 | 37 C 256 | 38 M 257 | 39 S 258 | 40 Y 259 |
| • | • | ||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 260 | 42 S 268 | 43 F 269 | 44 I 270 | 45 L 271 | 46 D 272 | 47 L 273 | 48 M 274 | 49 N 275 | 50 G 276 | 51 G 277 | 52 D 278 | 53 L 279 | 54 H 280 | 55 Y 281 | 56 H 282 | 57 L 283 | 58 S 284 | 59 Q 285 | 60 H 307 |
| • | • | ••• | |||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 M 308 | 62 H 309 | 63 N 310 | 64 R 311 | 65 F 312 | 66 V 313 | 67 V 314 | 68 Y 315 | 69 R 316 | 70 D 317 | 71 L 318 | 72 K 319 | 73 P 320 | 74 A 321 | 75 N 322 | 76 I 323 | 77 L 324 | 78 L 325 | 79 I 333 | 80 S 334 |
| •• | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 335 | 82 L 336 | 83 G 337 | 84 L 338 | 85 A 339 | |||||||||||||||
| •• | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
