PDB-code
| Kinase structure | |
| Kinase: | CLK1 |
| Family: | CLK |
| Group: | CMGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1990 |
| PDB: | 1Z57 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2005-04-12 |
| PubMed: | 19278650 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | DBQ |
 | |
| More entries for 1Z57 | |||||
| 1Z57 | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 48.8° (15.2Å) |
| G-rich loop rotation: | 69.3° |
| Quality Score: | 9.1 |
| Resolution: | 1.7 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 9 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I1 I3 I5 I7 I9 | Ligand No Yes Yes No No | Protein Yes Yes Yes No No | |
| Pocket alignment | |
| Uniprot sequence: | DTLGEGAFGKVVEVAVKIVAARSEIQVLEHLNFRCVQMLEWCIVFELLG-LSTYDFIKEFLHSNKLTHTDLKPENILFVVDFGSA |
| Sequence structure: | DTLGEGAFGKVVEVAVKIVAARSEIQVLEHLNFRCVQMLEWCIVFELLG_LSTYDFIKEFLHSNKLTHTDLKPENILFVVDFGSA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL255465 |
| Bioaffinities: | 12 records for 4 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 1 | 5.6 | 5.6 | 5.6 | pIC50 | 1 |
| Homo sapiens | MAP kinase ERK2 | 6.1 | 6.1 | 6.1 | pIC50 | 2 |
| Homo sapiens | Serine/threonine-protein kinase Chk1 | 6.1 | 5.5 | 6.5 | pIC50 | 5 |
| Homo sapiens | Serine/threonine-protein kinase Chk2 | 6.7 | 5.5 | 6.7 | pIC50 | 4 |
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 D 165 | 2 T 166 | 3 L 167 | 4 G 168 | 5 E 169 | 6 G 170 | 7 A 171 | 8 F 172 | 9 G 173 | 10 K 174 | 11 V 175 | 12 V 176 | 13 E 177 | 14 V 188 | 15 A 189 | 16 V 190 | 17 K 191 | 18 I 192 | 19 V 193 | 20 A 202 |
| • | • | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 A 203 | 22 R 204 | 23 S 205 | 24 E 206 | 25 I 207 | 26 Q 208 | 27 V 209 | 28 L 210 | 29 E 211 | 30 H 212 | 31 L 213 | 32 N 214 | 33 F 222 | 34 R 223 | 35 C 224 | 36 V 225 | 37 Q 226 | 38 M 227 | 39 L 228 | 40 E 229 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 W 230 | 42 C 238 | 43 I 239 | 44 V 240 | 45 F 241 | 46 E 242 | 47 L 243 | 48 L 244 | 49 G 245 | 50 _ _ | 51 L 246 | 52 S 247 | 53 T 248 | 54 Y 249 | 55 D 250 | 56 F 251 | 57 I 252 | 58 K 253 | 59 E 254 | 60 F 278 |
| • | • | •• | |||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 279 | 62 H 280 | 63 S 281 | 64 N 282 | 65 K 283 | 66 L 284 | 67 T 285 | 68 H 286 | 69 T 287 | 70 D 288 | 71 L 289 | 72 K 290 | 73 P 291 | 74 E 292 | 75 N 293 | 76 I 294 | 77 L 295 | 78 F 296 | 79 V 323 | 80 V 324 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 325 | 82 F 326 | 83 G 327 | 84 S 328 | 85 A 329 | |||||||||||||||
| •• | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
