PDB-code
| Kinase structure | |
| Kinase: | STK3 (MST2) |
| Family: | STE20 |
| Group: | STE |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2219 |
| PDB: | 8A66 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2022-07-20 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | 5BS |
 | |
| More entries for 8A66 | |||||
| 8A66 | 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: | 6.4 |
| Resolution: | 1.901 Å |
| Missing Residues: | 4 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-I | Cluster I2 I4 I5 I9 I11 | Ligand No No Yes No Yes | Protein Yes Yes Yes Yes Yes |
| Pocket alignment | |
| Uniprot sequence: | EKLGEGSYGSVFKVAIKQVEIIKEISIMQQCDPYVVKYYGSWIVMEYCGAGSVSDIIRLYLHFMRKIHRDIKAGNILLLADFGVA |
| Sequence structure: | EKLG____GSVFKVAIKQVEIIKEISIMQQCDPYVVKYYGSWIVMEYCGAGSVSDIIRLYLHFMRKIHRDIKAGNILLLADFGVA |
| Ligand affinity | |
| Ligand not found in ChEMBL. | |
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 133 | 2 K 134 | 3 L 135 | 4 G 136 | 5 _ _ | 6 _ _ | 7 _ _ | 8 _ _ | 9 G 141 | 10 S 142 | 11 V 143 | 12 F 144 | 13 K 145 | 14 V 155 | 15 A 156 | 16 I 157 | 17 K 158 | 18 Q 159 | 19 V 160 | 20 E 168 |
| • | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 I 169 | 22 I 170 | 23 K 171 | 24 E 172 | 25 I 173 | 26 S 174 | 27 I 175 | 28 M 176 | 29 Q 177 | 30 Q 178 | 31 C 179 | 32 D 180 | 33 P 182 | 34 Y 183 | 35 V 184 | 36 V 185 | 37 K 186 | 38 Y 187 | 39 Y 188 | 40 G 189 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 S 190 | 42 W 198 | 43 I 199 | 44 V 200 | 45 M 201 | 46 E 202 | 47 Y 203 | 48 C 204 | 49 G 205 | 50 A 206 | 51 G 207 | 52 S 208 | 53 V 209 | 54 S 210 | 55 D 211 | 56 I 212 | 57 I 213 | 58 R 214 | 59 L 215 | 60 Y 238 |
| • | • | •• | ••• | • | • | • | • | ||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 239 | 62 H 240 | 63 F 241 | 64 M 242 | 65 R 243 | 66 K 244 | 67 I 245 | 68 H 246 | 69 R 247 | 70 D 248 | 71 I 249 | 72 K 250 | 73 A 251 | 74 G 252 | 75 N 253 | 76 I 254 | 77 L 255 | 78 L 256 | 79 L 264 | 80 A 265 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 266 | 82 F 267 | 83 G 268 | 84 V 269 | 85 A 270 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
