PDB-code
| Kinase structure | |
| Kinase: | MAP2K7 |
| Family: | STE7 |
| Group: | STE |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2068 |
| PDB: | 6QG7 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2019-05-22 |
| PubMed: | 31083997 |
| Chain: | A |
| Orthosteric ligand: | 6HL |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 56.5° (17Å) |
| G-rich loop rotation: | 32.1° |
| Quality Score: | 9.2 |
| Resolution: | 2.1 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 8 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate | BP-I-A BP-I-B | Cluster I3 I5 I7 | Ligand No No Yes | Protein Yes Yes Yes |
| Pocket alignment | |
| Uniprot sequence: | GEMGSGTCGQVWKIAVKQMRILMDLDVVLKSHPYIVQCFGTFIAMELMGTCAEKLKKRMLKEKHGVIHRDVKPSNILLLCDFGIS |
| Sequence structure: | GEMGSGTCGQVWKIAVKQMRILMDLDVVLKSHPYIVQCFGTFIAMELMGTCAEKLKKRMLKEKHGVIHRDVKPSNILLLCDFGIS |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL4095447 |
| Bioaffinities: | 6 records for 1 kinase |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Epidermal growth factor receptor erbB1 | 7.2 | 5.1 | 9 | pIC50 | 6 |
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 140 | 2 E 141 | 3 M 142 | 4 G 143 | 5 S 144 | 6 G 145 | 7 T 146 | 8 C 147 | 9 G 148 | 10 Q 149 | 11 V 150 | 12 W 151 | 13 K 152 | 14 I 162 | 15 A 163 | 16 V 164 | 17 K 165 | 18 Q 166 | 19 M 167 | 20 R 178 |
| • | • | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 I 179 | 22 L 180 | 23 M 181 | 24 D 182 | 25 L 183 | 26 D 184 | 27 V 185 | 28 V 186 | 29 L 187 | 30 K 188 | 31 S 189 | 32 H 190 | 33 P 193 | 34 Y 194 | 35 I 195 | 36 V 196 | 37 Q 197 | 38 C 198 | 39 F 199 | 40 G 200 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 T 201 | 42 F 209 | 43 I 210 | 44 A 211 | 45 M 212 | 46 E 213 | 47 L 214 | 48 M 215 | 49 G 216 | 50 T 217 | 51 C 218 | 52 A 219 | 53 E 220 | 54 K 221 | 55 L 222 | 56 K 223 | 57 K 224 | 58 R 225 | 59 M 226 | 60 L 249 |
| • | • | •• | • | •• | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 K 250 | 62 E 251 | 63 K 252 | 64 H 253 | 65 G 254 | 66 V 255 | 67 I 256 | 68 H 257 | 69 R 258 | 70 D 259 | 71 V 260 | 72 K 261 | 73 P 262 | 74 S 263 | 75 N 264 | 76 I 265 | 77 L 266 | 78 L 267 | 79 L 275 | 80 C 276 |
| • | • | • | |||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 277 | 82 F 278 | 83 G 279 | 84 I 280 | 85 S 281 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
