PDB-code
| Kinase structure | |
| Kinase: | DYRK2 |
| Family: | DYRK |
| Group: | CMGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2011 |
| PDB: | 4AZF |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2012-09-05 |
| PubMed: | 22998443 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | 3RA |
 | |
| More entries for 4AZF | |||||
| 4AZF | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 53.2° (16.7Å) |
| G-rich loop rotation: | 49.9° |
| Quality Score: | 9.4 |
| Resolution: | 2.55 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 6 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I2 I4 I5 | Ligand No No Yes | Protein Yes Yes Yes | |
| Pocket alignment | |
| Uniprot sequence: | KVIGKGSFGQVVKVALKMVQAAEEIRILEHLRMNVIHMLENCMTFELLS-MNLYELIKKALHKNRIIHCDLKPENILLVIDFGSS |
| Sequence structure: | KVIGKGSFGQVVKVALKMVQAAEEIRILEHLRMNVIHMLENCMTFELLS_MNLYELIKKALHKNRIIHCDLKPENILLVIDFGSS |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL1738733 |
| Bioaffinities: | 2 records for 2 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 8.1 | 8.1 | 8.1 | pIC50 | 1 |
| Homo sapiens | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 7.4 | 7.4 | 7.4 | 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 K 153 | 2 V 154 | 3 I 155 | 4 G 156 | 5 K 157 | 6 G 158 | 7 S 159 | 8 F 160 | 9 G 161 | 10 Q 162 | 11 V 163 | 12 V 164 | 13 K 165 | 14 V 175 | 15 A 176 | 16 L 177 | 17 K 178 | 18 M 179 | 19 V 180 | 20 Q 189 |
| • | • | •• | • | • | •• | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 A 190 | 22 A 191 | 23 E 192 | 24 E 193 | 25 I 194 | 26 R 195 | 27 I 196 | 28 L 197 | 29 E 198 | 30 H 199 | 31 L 200 | 32 R 201 | 33 M 209 | 34 N 210 | 35 V 211 | 36 I 212 | 37 H 213 | 38 M 214 | 39 L 215 | 40 E 216 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 N 217 | 42 C 225 | 43 M 226 | 44 T 227 | 45 F 228 | 46 E 229 | 47 L 230 | 48 L 231 | 49 S 232 | 50 _ _ | 51 M 233 | 52 N 234 | 53 L 235 | 54 Y 236 | 55 E 237 | 56 L 238 | 57 I 239 | 58 K 240 | 59 K 241 | 60 A 265 |
| • | • | • | •• | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 266 | 62 H 267 | 63 K 268 | 64 N 269 | 65 R 270 | 66 I 271 | 67 I 272 | 68 H 273 | 69 C 274 | 70 D 275 | 71 L 276 | 72 K 277 | 73 P 278 | 74 E 279 | 75 N 280 | 76 I 281 | 77 L 282 | 78 L 283 | 79 V 293 | 80 I 294 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 295 | 82 F 296 | 83 G 297 | 84 S 298 | 85 S 299 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
