PDB-code
| Kinase structure | |
| Kinase: | HCK |
| Family: | Src |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2032 |
| PDB: | 2C0O |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2006-09-20 |
| PubMed: | 15109663 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | L2G |
 | |
| More entries for 2C0O | |||||
| 2C0O | Alternative model: | A | Chain: | A | |
| 2C0O | Alternative model: | A | Chain: | B | |
| 2C0O | Alternative model: | B | Chain: | B | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | 55.4° (17.3Å) |
| G-rich loop rotation: | 47° |
| Quality Score: | 8 |
| Resolution: | 2.85 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate back | BP-I-A BP-I-B BP-II-in | Cluster I2 I3 I7 | Ligand No No Yes | Protein Yes Yes No |
| Pocket alignment | |
| Uniprot sequence: | KKLGAGQFGEVWMVAVKTMAFLAEANVMKTLQDKLVKLHAVYIITEFMAKGSLLDFLKSFIEQRNYIHRDLRAANILVIADFGLA |
| Sequence structure: | KKLGAGQFGEVWMVAVKTMAFLAEANVMKTLQDKLVKLHAVYIITEFMAKGSLLDFLKSFIEQRNYIHRDLRAANILVIADFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL1970879 |
| Bioaffinities: | 22 records for 22 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Epidermal growth factor receptor erbB1 | 7.6 | 7.6 | 7.6 | pKi | 1 |
| Homo sapiens | Insulin receptor | 5.4 | 5.4 | 5.4 | pKi | 1 |
| Homo sapiens | LIM domain kinase 1 | 7.5 | 7.5 | 7.5 | pKi | 1 |
| Homo sapiens | Macrophage colony stimulating factor receptor | 6.1 | 6.1 | 6.1 | pKi | 1 |
| Homo sapiens | MAP kinase ERK2 | 5.4 | 5.4 | 5.4 | pKi | 1 |
| Homo sapiens | Nerve growth factor receptor Trk-A | 5.7 | 5.7 | 5.7 | pKi | 1 |
| Homo sapiens | Receptor protein-tyrosine kinase erbB-2 | 7.3 | 7.3 | 7.3 | pKi | 1 |
| Homo sapiens | Receptor protein-tyrosine kinase erbB-4 | 7.3 | 7.3 | 7.3 | pKi | 1 |
| Homo sapiens | Rho-associated protein kinase 1 | 6.4 | 6.4 | 6.4 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase Aurora-A | 6.7 | 6.7 | 6.7 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase Aurora-B | 6.8 | 6.8 | 6.8 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase Chk2 | 6.1 | 6.1 | 6.1 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase MRCK-A | 6.8 | 6.8 | 6.8 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase MST2 | 5.8 | 5.8 | 5.8 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase NEK2 | 6.7 | 6.7 | 6.7 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase PAK 1 | 5.5 | 5.5 | 5.5 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase PAK 4 | 6.3 | 6.3 | 6.3 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase PLK4 | 6.4 | 6.4 | 6.4 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase ABL | 6.8 | 6.8 | 6.8 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase FYN | 9 | 9 | 9 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase SRC | 8.5 | 8.5 | 8.5 | pKi | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 1 | 6.4 | 6.4 | 6.4 | 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 245 | 2 K 246 | 3 L 247 | 4 G 248 | 5 A 249 | 6 G 250 | 7 Q 251 | 8 F 252 | 9 G 253 | 10 E 254 | 11 V 255 | 12 W 256 | 13 M 257 | 14 V 266 | 15 A 267 | 16 V 268 | 17 K 269 | 18 T 270 | 19 M 271 | 20 A 280 |
| • | • | • | • | • | • | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 281 | 22 L 282 | 23 A 283 | 24 E 284 | 25 A 285 | 26 N 286 | 27 V 287 | 28 M 288 | 29 K 289 | 30 T 290 | 31 L 291 | 32 Q 292 | 33 D 294 | 34 K 295 | 35 L 296 | 36 V 297 | 37 K 298 | 38 L 299 | 39 H 300 | 40 A 301 |
| •• | • | • | • | • | |||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 302 | 42 Y 309 | 43 I 310 | 44 I 311 | 45 T 312 | 46 E 313 | 47 F 314 | 48 M 315 | 49 A 316 | 50 K 317 | 51 G 318 | 52 S 319 | 53 L 320 | 54 L 321 | 55 D 322 | 56 F 323 | 57 L 324 | 58 K 325 | 59 S 326 | 60 F 350 |
| • | • | • | • | •• | •• | • | • | •• | |||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 I 351 | 62 E 352 | 63 Q 353 | 64 R 354 | 65 N 355 | 66 Y 356 | 67 I 357 | 68 H 358 | 69 R 359 | 70 D 360 | 71 L 361 | 72 R 362 | 73 A 363 | 74 A 364 | 75 N 365 | 76 I 366 | 77 L 367 | 78 V 368 | 79 I 376 | 80 A 377 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 378 | 82 F 379 | 83 G 380 | 84 L 381 | 85 A 382 | |||||||||||||||
| •• | • | • | |||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
