PDB-code
| Kinase structure | |
| Kinase: | PI4K2A |
| Family: | PIK |
| Group: | Atypical |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2498 |
| PDB: | 4HNE |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2014-04-09 |
| PubMed: | 24675427 |
| Chain: | A |
| Orthosteric ligand: | ADP |
 | |
| More entries for 4HNE | |||
| 4HNE | Chain: | B | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 54.9° (16.6Å) |
| G-rich loop rotation: | 28.2° |
| Quality Score: | 7.6 |
| Resolution: | 2.95 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-II | Cluster I1 | Ligand Yes | Protein Yes |
| Pocket alignment | |
| Uniprot sequence: | ERIYQGSSGSYFVAVFKPKGYLSEAGASLVDQNIVPRTKVVGSFQLFVEYKDADYWLRRLDYI--IRNTDRGNDNWLIAIDNGLA |
| Sequence structure: | ERIYQGSSGSYFVAVFKPKGYLSEAGASLVDQNIVPRTKVVGSFQLFVEYKDADYWLRRLDYI__IRNTDRGNDNWLIAIDNGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL14830 |
| Bioaffinities: | 2 records for 1 kinase |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 7 | 4.2 | 4.2 | 5.4 | pKd | 2 |
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 128 | 2 R 129 | 3 I 130 | 4 Y 131 | 5 Q 132 | 6 G 133 | 7 S 134 | 8 S 135 | 9 G 136 | 10 S 137 | 11 Y 138 | 12 F 139 | 13 V 140 | 14 A 149 | 15 V 150 | 16 F 151 | 17 K 152 | 18 P 153 | 19 K 154 | 20 G 189 |
| • | • | • | • | •• | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 Y 190 | 22 L 191 | 23 S 192 | 24 E 193 | 25 A 194 | 26 G 195 | 27 A 196 | 28 S 197 | 29 L 198 | 30 V 199 | 31 D 200 | 32 Q 201 | 33 N 206 | 34 I 207 | 35 V 208 | 36 P 209 | 37 R 210 | 38 T 211 | 39 K 212 | 40 V 213 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 214 | 42 G 258 | 43 S 259 | 44 F 260 | 45 Q 261 | 46 L 262 | 47 F 263 | 48 V 264 | 49 E 265 | 50 Y 267 | 51 K 268 | 52 D 269 | 53 A 270 | 54 D 271 | 55 Y 272 | 56 W 273 | 57 L 274 | 58 R 275 | 59 R 276 | 60 L 300 |
| • | • | •• | •• | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 D 301 | 62 Y 302 | 63 I 303 | 64 _ _ | 65 _ _ | 66 I 304 | 67 R 305 | 68 N 306 | 69 T 307 | 70 D 308 | 71 R 309 | 72 G 310 | 73 N 311 | 74 D 312 | 75 N 313 | 76 W 314 | 77 L 315 | 78 I 316 | 79 A 344 | 80 I 345 |
| • | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 346 | 82 N 347 | 83 G 348 | 84 L 349 | 85 A 350 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
