PDB-code
| Kinase structure | |
| Kinase: | TGFBR2 (TGFbR2) |
| Family: | STKR |
| Group: | TKL |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1795 |
| PDB: | 7DV6 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2021-06-16 |
| PubMed: | 34055221 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | HJF |
 | |
| More entries for 7DV6 | |||||
| 7DV6 | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 49.5° (15.2Å) |
| G-rich loop rotation: | 51.1° |
| Quality Score: | 9.4 |
| Resolution: | 2.39 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 6 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | BP-I-B | Cluster I1 I5 | Ligand No Yes | Protein Yes Yes |
| Pocket alignment | |
| Uniprot sequence: | TLVGKGRFAEVYKVAVKIFSWKTEKDIFSDINENILQFLTAWLITAFHAKGNLQEYLTRGRPKMPIVHRDLKSSNILVLCDFGLS |
| Sequence structure: | TLVGKGRFAEVYKVAVKIFSWKTEKDIFSDINENILQFLTAWLITAFHAKGNLQEYLTRGRPKMPIVHRDLKSSNILVLCDFGLS |
| 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 T 248 | 2 L 249 | 3 V 250 | 4 G 251 | 5 K 252 | 6 G 253 | 7 R 254 | 8 F 255 | 9 A 256 | 10 E 257 | 11 V 258 | 12 Y 259 | 13 K 260 | 14 V 274 | 15 A 275 | 16 V 276 | 17 K 277 | 18 I 278 | 19 F 279 | 20 S 286 |
| • | • | • | • | •• | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 W 287 | 22 K 288 | 23 T 289 | 24 E 290 | 25 K 291 | 26 D 292 | 27 I 293 | 28 F 294 | 29 S 295 | 30 D 296 | 31 I 297 | 32 N 298 | 33 E 302 | 34 N 303 | 35 I 304 | 36 L 305 | 37 Q 306 | 38 F 307 | 39 L 308 | 40 T 309 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 310 | 42 W 322 | 43 L 323 | 44 I 324 | 45 T 325 | 46 A 326 | 47 F 327 | 48 H 328 | 49 A 329 | 50 K 330 | 51 G 331 | 52 N 332 | 53 L 333 | 54 Q 334 | 55 E 335 | 56 Y 336 | 57 L 337 | 58 T 338 | 59 R 339 | 60 G 369 |
| • | • | •• | •• | • | • | •• | |||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 R 370 | 62 P 371 | 63 K 372 | 64 M 373 | 65 P 374 | 66 I 375 | 67 V 376 | 68 H 377 | 69 R 378 | 70 D 379 | 71 L 380 | 72 K 381 | 73 S 382 | 74 S 383 | 75 N 384 | 76 I 385 | 77 L 386 | 78 V 387 | 79 L 395 | 80 C 396 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 397 | 82 F 398 | 83 G 399 | 84 L 400 | 85 S 401 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
