PDB-code
| Kinase structure | |
| Kinase: | LYN |
| Family: | Src |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2060 |
| PDB: | 5XY1 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2017-08-02 |
| Chain: | A |
| Orthosteric ligand: | 8H0 |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 62.3° (19.3Å) |
| G-rich loop rotation: | 56.4° |
| Quality Score: | 8 |
| Resolution: | 2.7 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front gate | BP-I-B | |||
| Pocket alignment | |
| Uniprot sequence: | KRLGAGQFGEVWMVAVKTLAFLEEANLMKTLQDKLVRLYAVYIITEYMAKGSLLDFLKSYIERKNYIHRDLRAANVLVIADFGLA |
| Sequence structure: | KRLGAGQFGEVWMVAVKTLAFLEEANLMKTLQDKLVRLYAVYIITEYMAKGSLLDFLKSYIERKNYIHRDLRAANVLVIADFGLA |
| Ligand affinity | |
| Ligand not found in ChEMBL. | |
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 K 251 | 2 R 252 | 3 L 253 | 4 G 254 | 5 A 255 | 6 G 256 | 7 Q 257 | 8 F 258 | 9 G 259 | 10 E 260 | 11 V 261 | 12 W 262 | 13 M 263 | 14 V 272 | 15 A 273 | 16 V 274 | 17 K 275 | 18 T 276 | 19 L 277 | 20 A 286 |
| • | • | • | |||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 287 | 22 L 288 | 23 E 289 | 24 E 290 | 25 A 291 | 26 N 292 | 27 L 293 | 28 M 294 | 29 K 295 | 30 T 296 | 31 L 297 | 32 Q 298 | 33 D 300 | 34 K 301 | 35 L 302 | 36 V 303 | 37 R 304 | 38 L 305 | 39 Y 306 | 40 A 307 |
| • | • | • | |||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 308 | 42 Y 316 | 43 I 317 | 44 I 318 | 45 T 319 | 46 E 320 | 47 Y 321 | 48 M 322 | 49 A 323 | 50 K 324 | 51 G 325 | 52 S 326 | 53 L 327 | 54 L 328 | 55 D 329 | 56 F 330 | 57 L 331 | 58 K 332 | 59 S 333 | 60 Y 357 |
| • | • | ••• | • | • | • | • | |||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 I 358 | 62 E 359 | 63 R 360 | 64 K 361 | 65 N 362 | 66 Y 363 | 67 I 364 | 68 H 365 | 69 R 366 | 70 D 367 | 71 L 368 | 72 R 369 | 73 A 370 | 74 A 371 | 75 N 372 | 76 V 373 | 77 L 374 | 78 V 375 | 79 I 383 | 80 A 384 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 385 | 82 F 386 | 83 G 387 | 84 L 388 | 85 A 389 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
