PDB-code
| Kinase structure | |
| Kinase: | HIPK2 |
| Family: | DYRK |
| Group: | CMGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2034 |
| PDB: | 6P5S |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2019-07-31 |
| PubMed: | 31341017 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | 3NG |
 | |
| More entries for 6P5S | |||||
| 6P5S | Alternative model: | A | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | - |
| G-rich loop rotation: | - |
| Quality Score: | 6.8 |
| Resolution: | 2.19 Å |
| Missing Residues: | 3 |
| Missing Atoms: | 27 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate | FP-II BP-I-B | Cluster I1 I4 | Ligand No Yes | Protein Yes Yes |
| Pocket alignment | |
| Uniprot sequence: | EFLGRGTFGQVVKVAIKILQGQIEVSILARLSYNFVRAYECCLVFEMLE-QNLYDFLKQKLKSLGLIHADLKPENIMLVIDFGSA |
| Sequence structure: | EFLGR___GQVVKVAIKILQGQIEVSILARLSYNFVRAYECCLVFEMLE_QNLYDFLKQKLKSLGLIHADLKPENIMLVIDFGSA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL1230165 |
| Bioaffinities: | 23 records for 12 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Casein kinase II alpha | 7.8 | 7 | 9.3 | pIC50 | 9 |
| Homo sapiens | Casein kinase II alpha | 9.3 | 9.3 | 9.3 | pKd | 2 |
| Homo sapiens | Casein kinase II alpha (prime) | 8 | 8 | 8 | pIC50 | 1 |
| Homo sapiens | Death-associated protein kinase 3 | 7.8 | 7.8 | 7.8 | pIC50 | 1 |
| Homo sapiens | Dual specificity protein kinase CLK2 | 8.4 | 8.4 | 8.4 | pIC50 | 1 |
| Homo sapiens | Dual specificity protein kinase CLK3 | 7.4 | 7.4 | 7.4 | pIC50 | 1 |
| Homo sapiens | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 8.2 | 8.2 | 8.2 | pIC50 | 1 |
| Homo sapiens | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 8.2 | 8.2 | 8.2 | pIC50 | 1 |
| Homo sapiens | Homeodomain-interacting protein kinase 3 | 7.4 | 7.4 | 7.4 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase PIM1 | 7.3 | 7.3 | 7.3 | pIC50 | 2 |
| Homo sapiens | Serine/threonine-protein kinase PIM2 | 6.7 | 6.7 | 6.7 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase TBK1 | 7.5 | 7.5 | 7.5 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor FLT3 | 7.3 | 7.3 | 7.3 | 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 E 203 | 2 F 204 | 3 L 205 | 4 G 206 | 5 R 207 | 6 _ _ | 7 _ _ | 8 _ _ | 9 G 211 | 10 Q 212 | 11 V 213 | 12 V 214 | 13 K 215 | 14 V 225 | 15 A 226 | 16 I 227 | 17 K 228 | 18 I 229 | 19 L 230 | 20 Q 239 |
| • | • | • | • | • | ••• | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 G 240 | 22 Q 241 | 23 I 242 | 24 E 243 | 25 V 244 | 26 S 245 | 27 I 246 | 28 L 247 | 29 A 248 | 30 R 249 | 31 L 250 | 32 S 251 | 33 Y 258 | 34 N 259 | 35 F 260 | 36 V 261 | 37 R 262 | 38 A 263 | 39 Y 264 | 40 E 265 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 C 266 | 42 C 274 | 43 L 275 | 44 V 276 | 45 F 277 | 46 E 278 | 47 M 279 | 48 L 280 | 49 E 281 | 50 _ _ | 51 Q 282 | 52 N 283 | 53 L 284 | 54 Y 285 | 55 D 286 | 56 F 287 | 57 L 288 | 58 K 289 | 59 Q 290 | 60 K 314 |
| •• | • | •• | |||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 315 | 62 K 316 | 63 S 317 | 64 L 318 | 65 G 319 | 66 L 320 | 67 I 321 | 68 H 322 | 69 A 323 | 70 D 324 | 71 L 325 | 72 K 326 | 73 P 327 | 74 E 328 | 75 N 329 | 76 I 330 | 77 M 331 | 78 L 332 | 79 V 344 | 80 I 345 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 346 | 82 F 347 | 83 G 348 | 84 S 349 | 85 A 350 | |||||||||||||||
| •• | |||||||||||||||||||
Interaction pattern search
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