PDB-code
| Kinase structure | |
| Kinase: | Aurka (AurA) |
| Family: | AUR |
| Group: | Other |
| Species: | MOUSE |
| PDB: | 3D15 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2009-05-12 |
| PubMed: | 18678489 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | AK2 |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 58.4° (17.2Å) |
| G-rich loop rotation: | 59.4° |
| Quality Score: | 9 |
| Resolution: | 2.3 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 10 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate | Cluster I1 I2 I3 | Ligand No No No | Protein Yes Yes Yes | |
| Pocket alignment | |
| Uniprot sequence: | RPLGKGKFGNVYLLALKVLQLRREVEIQSHLRPNILRLYGYYLILEYAPLGTVYRELQKYCHSKRVIHRDIKPENLLLIADFGWS |
| Sequence structure: | RPLGKGKFGNVYLLALKVLQLRREVEIQSHLRPNILRLYGYYLILEYAPLGTVYRELQKYCHSKRVIHRDIKPENLLLIADFGWS |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL482767 |
| Bioaffinities: | 40 records for 40 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | BR serine/threonine-protein kinase 1 | 5.7 | 5.7 | 5.7 | pKi | 1 |
| Homo sapiens | CaM kinase II beta | 5.9 | 5.9 | 5.9 | pKi | 1 |
| Homo sapiens | CaM kinase II delta | 5.7 | 5.7 | 5.7 | pKi | 1 |
| Homo sapiens | CaM kinase II gamma | 5.7 | 5.7 | 5.7 | pKi | 1 |
| Homo sapiens | Casein kinase I gamma 2 | 5.2 | 5.2 | 5.2 | pKi | 1 |
| Homo sapiens | Cell division cycle 2-like protein kinase 6 | 5.4 | 5.4 | 5.4 | pKi | 1 |
| Homo sapiens | Cell division protein kinase 8 | 8.8 | 8.8 | 8.8 | pKi | 1 |
| Homo sapiens | Cyclin-dependent kinase 1 | 5.2 | 5.2 | 5.2 | pKi | 1 |
| Homo sapiens | Dual specificity protein kinase CLK4 | 6.2 | 6.2 | 6.2 | pKi | 1 |
| Homo sapiens | Dual-specificity tyrosine-phosphorylation regulated kinase 3 | 5.9 | 5.9 | 5.9 | pKi | 1 |
| Homo sapiens | Ephrin type-A receptor 2 | 6.4 | 6.4 | 6.4 | pKi | 1 |
| Homo sapiens | Focal adhesion kinase 1 | 6.3 | 6.3 | 6.3 | pKi | 1 |
| Homo sapiens | Hepatocyte growth factor receptor | 6.3 | 6.3 | 6.3 | pKi | 1 |
| Homo sapiens | Homeodomain-interacting protein kinase 4 | 8.2 | 8.2 | 8.2 | pKi | 1 |
| Homo sapiens | Interleukin-1 receptor-associated kinase 1 | 6.1 | 6.1 | 6.1 | pKi | 1 |
| Homo sapiens | Interleukin-1 receptor-associated kinase 4 | 6.6 | 6.6 | 6.6 | pKi | 1 |
| Homo sapiens | MAP kinase p38 delta | 6.1 | 6.1 | 6.1 | pKi | 1 |
| Homo sapiens | MAP kinase signal-integrating kinase 2 | 7.3 | 7.3 | 7.3 | 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 | Mixed lineage kinase 7 | 5.9 | 5.9 | 5.9 | pKi | 1 |
| Homo sapiens | Neurotrophic tyrosine kinase receptor type 2 | 7.8 | 7.8 | 7.8 | pKi | 1 |
| Homo sapiens | NT-3 growth factor receptor | 8.3 | 8.3 | 8.3 | pKi | 1 |
| Homo sapiens | Platelet-derived growth factor receptor beta | 6.6 | 6.6 | 6.6 | pKi | 1 |
| Homo sapiens | Protein kinase C delta | 5.1 | 5.1 | 5.1 | pKi | 1 |
| Homo sapiens | Proto-oncogene tyrosine-protein kinase ROS | 5.8 | 5.8 | 5.8 | pKi | 1 |
| Homo sapiens | Rho-associated protein kinase 2 | 6.2 | 6.2 | 6.2 | pKi | 1 |
| Homo sapiens | Ribosomal protein S6 kinase 1 | 6.8 | 6.8 | 6.8 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase 2 | 6.5 | 6.5 | 6.5 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase Aurora-A | 7.4 | 7.4 | 7.4 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase Chk2 | 6.9 | 6.9 | 6.9 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase D2 | 5.1 | 5.1 | 5.1 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase Nek4 | 6.6 | 6.6 | 6.6 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase PLK4 | 7.3 | 7.3 | 7.3 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase SRPK1 | 5.5 | 5.5 | 5.5 | pKi | 1 |
| Homo sapiens | Stem cell growth factor receptor | 6.5 | 6.5 | 6.5 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase FRK | 6.8 | 6.8 | 6.8 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor RET | 5.9 | 5.9 | 5.9 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor TYRO3 | 6.4 | 6.4 | 6.4 | pKi | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 6.7 | 6.7 | 6.7 | 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 R 150 | 2 P 151 | 3 L 152 | 4 G 153 | 5 K 154 | 6 G 155 | 7 K 156 | 8 F 157 | 9 G 158 | 10 N 159 | 11 V 160 | 12 Y 161 | 13 L 162 | 14 L 172 | 15 A 173 | 16 L 174 | 17 K 175 | 18 V 176 | 19 L 177 | 20 Q 190 |
| • | • | • | • | •• | • | • | |||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 191 | 22 R 192 | 23 R 193 | 24 E 194 | 25 V 195 | 26 E 196 | 27 I 197 | 28 Q 198 | 29 S 199 | 30 H 200 | 31 L 201 | 32 R 202 | 33 P 204 | 34 N 205 | 35 I 206 | 36 L 207 | 37 R 208 | 38 L 209 | 39 Y 210 | 40 G 211 |
| • | •• | • | |||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 Y 212 | 42 Y 220 | 43 L 221 | 44 I 222 | 45 L 223 | 46 E 224 | 47 Y 225 | 48 A 226 | 49 P 227 | 50 L 228 | 51 G 229 | 52 T 230 | 53 V 231 | 54 Y 232 | 55 R 233 | 56 E 234 | 57 L 235 | 58 Q 236 | 59 K 237 | 60 Y 259 |
| • | • | • | • | •• | • | • | |||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 C 260 | 62 H 261 | 63 S 262 | 64 K 263 | 65 R 264 | 66 V 265 | 67 I 266 | 68 H 267 | 69 R 268 | 70 D 269 | 71 I 270 | 72 K 271 | 73 P 272 | 74 E 273 | 75 N 274 | 76 L 275 | 77 L 276 | 78 L 277 | 79 I 285 | 80 A 286 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 287 | 82 F 288 | 83 G 289 | 84 W 290 | 85 S 291 | |||||||||||||||
| •• | • | ||||||||||||||||||
Interaction pattern search
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