PDB-code
| Kinase structure | |
| Kinase: | RIOK1 |
| Family: | RIO |
| Group: | Atypical |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2186 |
| PDB: | 4OTP |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2014-07-02 |
| PubMed: | 24948609 |
| Chain: | A |
| Orthosteric ligand: | ADP |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 52.5° (16.8Å) |
| G-rich loop rotation: | 20.1° |
| Quality Score: | 9.2 |
| Resolution: | 2.7 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 4 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | FP-II | |||
| Pocket alignment | |
| Uniprot sequence: | GCISTGKEANVYHRAIKIYWAEKEMRNLIRLNIPCPEPIMLVLVMSFIGAPLLKNVQLSMYQDARLVHADLSEFNMLYIIDVSQS |
| Sequence structure: | GCISTGKEANVYHRAIKIYWAEKEMRNLIRLNIPCPEPIMLVLVMSFIGAPLLKNVQLSMYQDARLVHADLSEFNMLYIIXVSQS |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL14830 |
| Bioaffinities: | 2 records for 1 kinase |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 7 | 4.2 | 4.2 | 5.4 | pKd | 2 |
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 G 184 | 2 C 185 | 3 I 186 | 4 S 187 | 5 T 188 | 6 G 189 | 7 K 190 | 8 E 191 | 9 A 192 | 10 N 193 | 11 V 194 | 12 Y 195 | 13 H 196 | 14 R 205 | 15 A 206 | 16 I 207 | 17 K 208 | 18 I 209 | 19 Y 210 | 20 W 246 |
| • | • | • | • | •• | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 A 247 | 22 E 248 | 23 K 249 | 24 E 250 | 25 M 251 | 26 R 252 | 27 N 253 | 28 L 254 | 29 I 255 | 30 R 256 | 31 L 257 | 32 N 258 | 33 I 262 | 34 P 263 | 35 C 264 | 36 P 265 | 37 E 266 | 38 P 267 | 39 I 268 | 40 M 269 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 L 270 | 42 V 274 | 43 L 275 | 44 V 276 | 45 M 277 | 46 S 278 | 47 F 279 | 48 I 280 | 49 G 281 | 50 A 287 | 51 P 288 | 52 L 289 | 53 L 290 | 54 K 291 | 55 N 292 | 56 V 293 | 57 Q 294 | 58 L 295 | 59 S 296 | 60 M 314 |
| • | • | •• | •• | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 Y 315 | 62 Q 316 | 63 D 317 | 64 A 318 | 65 R 319 | 66 L 320 | 67 V 321 | 68 H 322 | 69 A 323 | 70 D 324 | 71 L 325 | 72 S 326 | 73 E 327 | 74 F 328 | 75 N 329 | 76 M 330 | 77 L 331 | 78 Y 332 | 79 I 339 | 80 I 340 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 X 341 | 82 V 342 | 83 S 343 | 84 Q 344 | 85 S 345 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
