PDB-code
| Kinase structure | |
| Kinase: | HCK |
| Family: | Src |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2032 |
| PDB: | 4LUE |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2014-02-12 |
| PubMed: | 24531473 |
| Chain: | B |
| Orthosteric ligand: | VSE |
 | |
| More entries for 4LUE | |||
| 4LUE | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | 55.5° (17.2Å) |
| G-rich loop rotation: | 43.4° |
| Quality Score: | 7.5 |
| Resolution: | 3.04 Å |
| Missing Residues: | 2 |
| Missing Atoms: | 17 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front gate back | BP-I-B BP-II-in | |||
| Pocket alignment | |
| Uniprot sequence: | KKLGAGQFGEVWMVAVKTMAFLAEANVMKTLQDKLVKLHAVYIITEFMAKGSLLDFLKSFIEQRNYIHRDLRAANILVIADFGLA |
| Sequence structure: | KKLGAGQFGEVWMVAVKTM__LAEANVMKTLQDKLVKLHAVYIITEFMAKGSLLDFLKSFIEQRNYIHRDLRAANILVIADFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL1997617 |
| Bioaffinities: | 65 records for 65 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | 3-phosphoinositide dependent protein kinase-1 | 5.7 | 5.7 | 5.7 | pKi | 1 |
| Homo sapiens | ALK tyrosine kinase receptor | 6.7 | 6.7 | 6.7 | pKi | 1 |
| Homo sapiens | BR serine/threonine-protein kinase 1 | 5.5 | 5.5 | 5.5 | pKi | 1 |
| Homo sapiens | CaM kinase I alpha | 5.5 | 5.5 | 5.5 | pKi | 1 |
| Homo sapiens | CaM kinase II beta | 5.4 | 5.4 | 5.4 | pKi | 1 |
| Homo sapiens | CaM kinase II delta | 5.6 | 5.6 | 5.6 | pKi | 1 |
| Homo sapiens | CaM kinase II gamma | 5.4 | 5.4 | 5.4 | pKi | 1 |
| Homo sapiens | Casein kinase I alpha | 5.8 | 5.8 | 5.8 | pKi | 1 |
| Homo sapiens | Casein kinase I delta | 7.6 | 7.6 | 7.6 | pKi | 1 |
| Homo sapiens | Epidermal growth factor receptor erbB1 | 7.5 | 7.5 | 7.5 | pKi | 1 |
| Homo sapiens | Fibroblast growth factor receptor 1 | 8 | 8 | 8 | pKi | 1 |
| Homo sapiens | Fibroblast growth factor receptor 3 | 7.6 | 7.6 | 7.6 | pKi | 1 |
| Homo sapiens | Insulin receptor | 6.6 | 6.6 | 6.6 | pKi | 1 |
| Homo sapiens | Interleukin-1 receptor-associated kinase 4 | 6.2 | 6.2 | 6.2 | pKi | 1 |
| Homo sapiens | LIM domain kinase 1 | 6.3 | 6.3 | 6.3 | pKi | 1 |
| Homo sapiens | Macrophage colony stimulating factor receptor | 7.8 | 7.8 | 7.8 | pKi | 1 |
| Homo sapiens | MAP kinase p38 gamma | 5.5 | 5.5 | 5.5 | pKi | 1 |
| Homo sapiens | MAP kinase signal-integrating kinase 2 | 5.6 | 5.6 | 5.6 | pKi | 1 |
| Homo sapiens | MAP/microtubule affinity-regulating kinase 2 | 6.6 | 6.6 | 6.6 | pKi | 1 |
| Homo sapiens | Maternal embryonic leucine zipper kinase | 6.4 | 6.4 | 6.4 | pKi | 1 |
| Homo sapiens | Misshapen-like kinase 1 | 5.6 | 5.6 | 5.6 | pKi | 1 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 2 | 5.5 | 5.5 | 5.5 | pKi | 1 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 4 | 6.6 | 6.6 | 6.6 | pKi | 1 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 5 | 7.2 | 7.2 | 7.2 | pKi | 1 |
| Homo sapiens | Mixed lineage kinase 7 | 5.8 | 5.8 | 5.8 | pKi | 1 |
| Homo sapiens | Nerve growth factor receptor Trk-A | 5.9 | 5.9 | 5.9 | pKi | 1 |
| Homo sapiens | Neurotrophic tyrosine kinase receptor type 2 | 5.7 | 5.7 | 5.7 | pKi | 1 |
| Homo sapiens | NT-3 growth factor receptor | 6.5 | 6.5 | 6.5 | pKi | 1 |
| Homo sapiens | Phosphorylase kinase gamma subunit 2 | 5.4 | 5.4 | 5.4 | pKi | 1 |
| Homo sapiens | Protein kinase C delta | 5.8 | 5.8 | 5.8 | pKi | 1 |
| Homo sapiens | Protein kinase C nu | 6.7 | 6.7 | 6.7 | pKi | 1 |
| Homo sapiens | Proto-oncogene tyrosine-protein kinase ROS | 6 | 6 | 6 | pKi | 1 |
| Homo sapiens | Receptor protein-tyrosine kinase erbB-2 | 7.9 | 7.9 | 7.9 | pKi | 1 |
| Homo sapiens | Receptor protein-tyrosine kinase erbB-4 | 8.1 | 8.1 | 8.1 | pKi | 1 |
| Homo sapiens | Rho-associated protein kinase 1 | 5.2 | 5.2 | 5.2 | pKi | 1 |
| Homo sapiens | Ribosomal protein S6 kinase 1 | 6.1 | 6.1 | 6.1 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase 2 | 5.4 | 5.4 | 5.4 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase AKT2 | 5.5 | 5.5 | 5.5 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase AKT3 | 5.1 | 5.1 | 5.1 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase Aurora-B | 6.4 | 6.4 | 6.4 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase Chk2 | 7.2 | 7.2 | 7.2 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase c-TAK1 | 6.3 | 6.3 | 6.3 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase D2 | 7.1 | 7.1 | 7.1 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase DCLK1 | 5.4 | 5.4 | 5.4 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase MRCK-A | 5.8 | 5.8 | 5.8 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase MST2 | 6.6 | 6.6 | 6.6 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase NEK2 | 5.8 | 5.8 | 5.8 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase PAK 1 | 6.5 | 6.5 | 6.5 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase PAK 4 | 6.7 | 6.7 | 6.7 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase PIM1 | 5.2 | 5.2 | 5.2 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase PLK4 | 5.5 | 5.5 | 5.5 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase TAO1 | 5.2 | 5.2 | 5.2 | pKi | 1 |
| Homo sapiens | Stem cell growth factor receptor | 7.8 | 7.8 | 7.8 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase ABL | 8.4 | 8.4 | 8.4 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase BRK | 8.5 | 8.5 | 8.5 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase BTK | 9.1 | 9.1 | 9.1 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase FER | 6.7 | 6.7 | 6.7 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase ITK/TSK | 7.6 | 7.6 | 7.6 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor FLT3 | 8.8 | 8.8 | 8.8 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor RET | 8.1 | 8.1 | 8.1 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor UFO | 6.9 | 6.9 | 6.9 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase Srms | 8.2 | 8.2 | 8.2 | pKi | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 1 | 7.5 | 7.5 | 7.5 | pKi | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 7.5 | 7.5 | 7.5 | pKi | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 3 | 7.5 | 7.5 | 7.5 | pKi | 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 K 271 | 2 K 272 | 3 L 273 | 4 G 274 | 5 A 275 | 6 G 276 | 7 Q 277 | 8 F 278 | 9 G 279 | 10 E 280 | 11 V 281 | 12 W 282 | 13 M 283 | 14 V 292 | 15 A 293 | 16 V 294 | 17 K 295 | 18 T 296 | 19 M 297 | 20 _ _ |
| • | • | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 _ _ | 22 L 308 | 23 A 309 | 24 E 310 | 25 A 311 | 26 N 312 | 27 V 313 | 28 M 314 | 29 K 315 | 30 T 316 | 31 L 317 | 32 Q 318 | 33 D 320 | 34 K 321 | 35 L 322 | 36 V 323 | 37 K 324 | 38 L 325 | 39 H 326 | 40 A 327 |
| • | • | ||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 328 | 42 Y 335 | 43 I 336 | 44 I 337 | 45 T 338 | 46 E 339 | 47 F 340 | 48 M 341 | 49 A 342 | 50 K 343 | 51 G 344 | 52 S 345 | 53 L 346 | 54 L 347 | 55 D 348 | 56 F 349 | 57 L 350 | 58 K 351 | 59 S 352 | 60 F 376 |
| • | • | • | • | •• | • | • | ••• | ||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 I 377 | 62 E 378 | 63 Q 379 | 64 R 380 | 65 N 381 | 66 Y 382 | 67 I 383 | 68 H 384 | 69 R 385 | 70 D 386 | 71 L 387 | 72 R 388 | 73 A 389 | 74 A 390 | 75 N 391 | 76 I 392 | 77 L 393 | 78 V 394 | 79 I 402 | 80 A 403 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 404 | 82 F 405 | 83 G 406 | 84 L 407 | 85 A 408 | |||||||||||||||
| • | •• | • | |||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
