PDB-code
| Kinase structure | |
| Kinase: | CLK3 |
| Family: | CLK |
| Group: | CMGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1992 |
| PDB: | 2WU7 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2009-10-20 |
| PubMed: | 21276940 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | V25 |
 | |
| More entries for 2WU7 | |||||
| 2WU7 | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 50.1° (15.9Å) |
| G-rich loop rotation: | 68.9° |
| Quality Score: | 9 |
| Resolution: | 2.25 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 10 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I1 I5 I9 | Ligand No No Yes | Protein Yes Yes Yes | |
| Pocket alignment | |
| Uniprot sequence: | GNLGEGTFGKVVEVALKIIAARLEINVLKKIKFLCVLMSDWCIAFELLG-KNTFEFLKEFLHENQLTHTDLKPENILFVADFGSA |
| Sequence structure: | GNLGEGTFGKVVEVALKIIAARLEINVLKKIKFLCVLMSDWCIAFELLG_KNTFEFLKEFLHENQLTHTDLKPENILFVADFGSA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL1236620 |
| Bioaffinities: | 4 records for 3 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Dual specificity protein kinase CLK3 | 6.3 | 6.3 | 6.3 | pIC50 | 1 |
| Homo sapiens | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 7.3 | 7.3 | 7.3 | pIC50 | 2 |
| Homo sapiens | Dual specificty protein kinase CLK1 | 7.7 | 7.7 | 7.7 | 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 G 160 | 2 N 161 | 3 L 162 | 4 G 163 | 5 E 164 | 6 G 165 | 7 T 166 | 8 F 167 | 9 G 168 | 10 K 169 | 11 V 170 | 12 V 171 | 13 E 172 | 14 V 183 | 15 A 184 | 16 L 185 | 17 K 186 | 18 I 187 | 19 I 188 | 20 A 197 |
| • | • | • | • | • | • | • | •• | ||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 A 198 | 22 R 199 | 23 L 200 | 24 E 201 | 25 I 202 | 26 N 203 | 27 V 204 | 28 L 205 | 29 K 206 | 30 K 207 | 31 I 208 | 32 K 209 | 33 F 217 | 34 L 218 | 35 C 219 | 36 V 220 | 37 L 221 | 38 M 222 | 39 S 223 | 40 D 224 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 W 225 | 42 C 233 | 43 I 234 | 44 A 235 | 45 F 236 | 46 E 237 | 47 L 238 | 48 L 239 | 49 G 240 | 50 _ _ | 51 K 241 | 52 N 242 | 53 T 243 | 54 F 244 | 55 E 245 | 56 F 246 | 57 L 247 | 58 K 248 | 59 E 249 | 60 F 273 |
| •• | • | • | • | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 274 | 62 H 275 | 63 E 276 | 64 N 277 | 65 Q 278 | 66 L 279 | 67 T 280 | 68 H 281 | 69 T 282 | 70 D 283 | 71 L 284 | 72 K 285 | 73 P 286 | 74 E 287 | 75 N 288 | 76 I 289 | 77 L 290 | 78 F 291 | 79 V 318 | 80 A 319 |
| •• | • | • | • | ||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 320 | 82 F 321 | 83 G 322 | 84 S 323 | 85 A 324 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
