PDB-code
| Kinase structure | |
| Kinase: | EIF2AK2 (PKR) |
| Family: | PEK |
| Group: | Other |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2016 |
| PDB: | 6D3K |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2019-07-10 |
| PubMed: | 31246429 |
| Chain: | A |
| Orthosteric ligand: | ADP |
 | |
| More entries for 6D3K | |||
| 6D3K | Chain: | B | |
| 6D3K | Chain: | C | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 52.2° (15.9Å) |
| G-rich loop rotation: | 37.5° |
| Quality Score: | 8 |
| Resolution: | 2.6 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | FP-II | |||
| Pocket alignment | |
| Uniprot sequence: | ELIGSGGFGQVFKYVIKRVKAEREVKALAKLDVNIVHYNGCFIQMEFCDKGTLEQWIEKYIHSKKLIHRDLKPSNIFLIGDFGLV |
| Sequence structure: | ELIGSGGFGQVFKYVIKRVKAEREVKALAKLDVNIVHYNGCFIQMEFCDKGTLEQWIEKYIHSKKLIHRDLKPSNIFLIGDFGLV |
| 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 E 271 | 2 L 272 | 3 I 273 | 4 G 274 | 5 S 275 | 6 G 276 | 7 G 277 | 8 F 278 | 9 G 279 | 10 Q 280 | 11 V 281 | 12 F 282 | 13 K 283 | 14 Y 293 | 15 V 294 | 16 I 295 | 17 K 296 | 18 R 297 | 19 V 298 | 20 K 304 |
| • | • | • | • | •• | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 A 305 | 22 E 306 | 23 R 307 | 24 E 308 | 25 V 309 | 26 K 310 | 27 A 311 | 28 L 312 | 29 A 313 | 30 K 314 | 31 L 315 | 32 D 316 | 33 V 318 | 34 N 319 | 35 I 320 | 36 V 321 | 37 H 322 | 38 Y 323 | 39 N 324 | 40 G 325 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 C 326 | 42 F 363 | 43 I 364 | 44 Q 365 | 45 M 366 | 46 E 367 | 47 F 368 | 48 C 369 | 49 D 370 | 50 K 371 | 51 G 372 | 52 T 373 | 53 L 374 | 54 E 375 | 55 Q 376 | 56 W 377 | 57 I 378 | 58 E 379 | 59 K 380 | 60 Y 404 |
| • | • | •• | • | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 I 405 | 62 H 406 | 63 S 407 | 64 K 408 | 65 K 409 | 66 L 410 | 67 I 411 | 68 H 412 | 69 R 413 | 70 D 414 | 71 L 415 | 72 K 416 | 73 P 417 | 74 S 418 | 75 N 419 | 76 I 420 | 77 F 421 | 78 L 422 | 79 I 430 | 80 G 431 |
| • | •• | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 432 | 82 F 433 | 83 G 434 | 84 L 435 | 85 V 436 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
