PDB-code
| Kinase structure | |
| Kinase: | CAMKK1 (CaMKK1) |
| Family: | CAMKK |
| Group: | Other |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1956 |
| PDB: | 6CD6 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2018-03-07 |
| Chain: | D |
| (Alternate) Model: | A |
| Orthosteric ligand: | DXV |
 | |
| More entries for 6CD6 | |||||
| 6CD6 | Alternative model: | A | Chain: | A | |
| 6CD6 | Alternative model: | A | Chain: | B | |
| 6CD6 | Alternative model: | A | Chain: | C | |
| 6CD6 | Alternative model: | B | Chain: | A | |
| 6CD6 | Alternative model: | B | Chain: | B | |
| 6CD6 | Alternative model: | B | Chain: | C | |
| 6CD6 | Alternative model: | B | Chain: | D | |
| Structural information | |
| DFG conformation: | out |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 44.4° (13.6Å) |
| G-rich loop rotation: | 41.8° |
| Quality Score: | 7.7 |
| Resolution: | 2.2 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 7 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-I | Cluster I5 I10 | Ligand Yes Yes | Protein Yes Yes |
| Pocket alignment | |
| Uniprot sequence: | DAYLQGAYGVVRLYAMKVLRVYQEIAILKKLDVNVVKLIEVLYLFDLLRKGPVMEVPCDYLHCQKIVHRDIKPSNLLLIADFGVS |
| Sequence structure: | QSEIGKGAYGVVRHYAMKVERVYQEIAILKKLHVNVVKLIENLYLVFDLRKGPVMEVPCEYLHCQKIVHRDIKPSNLLKIADFGV |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL558642 |
| Bioaffinities: | 5 records for 3 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | CaM-kinase kinase beta | 8.1 | 8.1 | 8.1 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase Aurora-A | 6.5 | 6.5 | 6.5 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase Sgk1 | 7.9 | 6.2 | 7.9 | pIC50 | 3 |
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 Q 131 | 2 S 132 | 3 E 133 | 4 I 134 | 5 G 135 | 6 K 136 | 7 G 137 | 8 A 138 | 9 Y 139 | 10 G 140 | 11 V 141 | 12 V 142 | 13 R 143 | 14 H 153 | 15 Y 154 | 16 A 155 | 17 M 156 | 18 K 157 | 19 V 158 | 20 E 194 |
| • | • | • | • | • | • | ••• | |||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 R 195 | 22 V 196 | 23 Y 197 | 24 Q 198 | 25 E 199 | 26 I 200 | 27 A 201 | 28 I 202 | 29 L 203 | 30 K 204 | 31 K 205 | 32 L 206 | 33 H 208 | 34 V 209 | 35 N 210 | 36 V 211 | 37 V 212 | 38 K 213 | 39 L 214 | 40 I 215 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 E 216 | 42 N 225 | 43 L 226 | 44 Y 227 | 45 L 228 | 46 V 229 | 47 F 230 | 48 D 231 | 49 L 232 | 50 R 234 | 51 K 235 | 52 G 236 | 53 P 237 | 54 V 238 | 55 M 239 | 56 E 240 | 57 V 241 | 58 P 242 | 59 C 243 | 60 E 264 |
| •• | • | • | • | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 Y 265 | 62 L 266 | 63 H 267 | 64 C 268 | 65 Q 269 | 66 K 270 | 67 I 271 | 68 V 272 | 69 H 273 | 70 R 274 | 71 D 275 | 72 I 276 | 73 K 277 | 74 P 278 | 75 S 279 | 76 N 280 | 77 L 281 | 78 L 282 | 79 K 290 | 80 I 291 |
| • | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 A 292 | 82 D 293 | 83 F 294 | 84 G 295 | 85 V 296 | |||||||||||||||
| • | • | ||||||||||||||||||
Interaction pattern search
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