PDB-code
| Kinase structure | |
| Kinase: | CLK2 |
| Family: | CLK |
| Group: | CMGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1991 |
| PDB: | 3NR9 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2010-08-25 |
| Chain: | C |
| Orthosteric ligand: | NR9 |
 | |
| More entries for 3NR9 | |||
| 3NR9 | Chain: | A | |
| 3NR9 | Chain: | B | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 50.9° (15.9Å) |
| G-rich loop rotation: | 60.2° |
| Quality Score: | 9.2 |
| Resolution: | 2.89 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 8 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I1 | Ligand No | Protein Yes | |
| Pocket alignment | |
| Uniprot sequence: | STLGEGTFGRVVQVALKIIAARLEINVLEKINNLCVQMFDWCISFELLG-LSTFDFLKDFLHDNKLTHTDLKPENILFVVDFGSA |
| Sequence structure: | STLGEGTFGRVVQVALKIIAARLEINVLEKINNLCVQMFDWCISFELLG_LSTFDFLKDFLHDNKLTHTDLKPENILFVVDFGSA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL393929 |
| Bioaffinities: | 10 records for 4 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Cyclin-dependent kinase 1 | 5.9 | 5.7 | 7.7 | pIC50 | 6 |
| Homo sapiens | Cyclin-dependent kinase 1 | 7.5 | 7.5 | 7.5 | pKi | 1 |
| Homo sapiens | Cyclin-dependent kinase 2 | 6.5 | 6.5 | 6.5 | pKi | 1 |
| Homo sapiens | MAP kinase ERK2 | 5.7 | 5.7 | 5.7 | pKi | 1 |
| Homo sapiens | Protein kinase C delta | 6.5 | 6.5 | 6.5 | 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 S 167 | 2 T 168 | 3 L 169 | 4 G 170 | 5 E 171 | 6 G 172 | 7 T 173 | 8 F 174 | 9 G 175 | 10 R 176 | 11 V 177 | 12 V 178 | 13 Q 179 | 14 V 190 | 15 A 191 | 16 L 192 | 17 K 193 | 18 I 194 | 19 I 195 | 20 A 204 |
| • | • | • | •• | • | • | •• | |||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 A 205 | 22 R 206 | 23 L 207 | 24 E 208 | 25 I 209 | 26 N 210 | 27 V 211 | 28 L 212 | 29 E 213 | 30 K 214 | 31 I 215 | 32 N 216 | 33 N 224 | 34 L 225 | 35 C 226 | 36 V 227 | 37 Q 228 | 38 M 229 | 39 F 230 | 40 D 231 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 W 232 | 42 C 240 | 43 I 241 | 44 S 242 | 45 F 243 | 46 E 244 | 47 L 245 | 48 L 246 | 49 G 247 | 50 _ _ | 51 L 248 | 52 S 249 | 53 T 250 | 54 F 251 | 55 D 252 | 56 F 253 | 57 L 254 | 58 K 255 | 59 D 256 | 60 F 280 |
| •• | • | • | •• | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 281 | 62 H 282 | 63 D 283 | 64 N 284 | 65 K 285 | 66 L 286 | 67 T 287 | 68 H 288 | 69 T 289 | 70 D 290 | 71 L 291 | 72 K 292 | 73 P 293 | 74 E 294 | 75 N 295 | 76 I 296 | 77 L 297 | 78 F 298 | 79 V 325 | 80 V 326 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 327 | 82 F 328 | 83 G 329 | 84 S 330 | 85 A 331 | |||||||||||||||
| ••• | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
