PDB-code
| Kinase structure | |
| Kinase: | PTK6 (BRK) |
| Family: | Src |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2182 |
| PDB: | 5DA3 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2016-08-24 |
| PubMed: | 27993680 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | 58V |
 | |
| More entries for 5DA3 | |||||
| 5DA3 | Alternative model: | A | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | 49.9° (15.1Å) |
| G-rich loop rotation: | 60.8° |
| Quality Score: | 9.6 |
| Resolution: | 1.7 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 4 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I2 I3 I4 I5 | Ligand No No No No | Protein Yes Yes No Yes | |
| Pocket alignment | |
| Uniprot sequence: | RKLGSGYFGEVFEVAIKVIMLQSEIQAMKKLRKHILALYAVYIITELMAKGSLLELLRDYLESQNYIHRDLAARNILVVGDFGLA |
| Sequence structure: | RKLGSGYFGEVFEVAIKVIMLQSEIQAMKKLRKHILALYAVYIITELMAKGSLLELLRDYLESQNYIHRDLAARNILVVGDFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL1836848 |
| Bioaffinities: | 3 records for 3 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Serine/threonine-protein kinase Aurora-B | 5.1 | 5.1 | 5.1 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase BRK | 6.9 | 6.9 | 6.9 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase LCK | 5 | 5 | 5 | pIC50 | 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 R 195 | 2 K 196 | 3 L 197 | 4 G 198 | 5 S 199 | 6 G 200 | 7 Y 201 | 8 F 202 | 9 G 203 | 10 E 204 | 11 V 205 | 12 F 206 | 13 E 207 | 14 V 216 | 15 A 217 | 16 I 218 | 17 K 219 | 18 V 220 | 19 I 221 | 20 M 231 |
| • | • | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 232 | 22 Q 233 | 23 S 234 | 24 E 235 | 25 I 236 | 26 Q 237 | 27 A 238 | 28 M 239 | 29 K 240 | 30 K 241 | 31 L 242 | 32 R 243 | 33 K 245 | 34 H 246 | 35 I 247 | 36 L 248 | 37 A 249 | 38 L 250 | 39 Y 251 | 40 A 252 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 253 | 42 Y 261 | 43 I 262 | 44 I 263 | 45 T 264 | 46 E 265 | 47 L 266 | 48 M 267 | 49 A 268 | 50 K 269 | 51 G 270 | 52 S 271 | 53 L 272 | 54 L 273 | 55 E 274 | 56 L 275 | 57 L 276 | 58 R 277 | 59 D 278 | 60 Y 302 |
| • | ••• | • | • | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 303 | 62 E 304 | 63 S 305 | 64 Q 306 | 65 N 307 | 66 Y 308 | 67 I 309 | 68 H 310 | 69 R 311 | 70 D 312 | 71 L 313 | 72 A 314 | 73 A 315 | 74 R 316 | 75 N 317 | 76 I 318 | 77 L 319 | 78 V 320 | 79 V 328 | 80 G 329 |
| • | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 330 | 82 F 331 | 83 G 332 | 84 L 333 | 85 A 334 | |||||||||||||||
| •• | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
