PDB-code
| Kinase structure | |
| Kinase: | GSK3A |
| Family: | GSK |
| Group: | CMGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2029 |
| PDB: | 7SXG |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2023-06-14 |
| PubMed: | 36812145 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | D1E |
 | |
| More entries for 7SXG | |||||
| 7SXG | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 57.1° (17.8Å) |
| G-rich loop rotation: | 36.3° |
| Quality Score: | 8 |
| Resolution: | 2.4 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 21 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | FP-II | |||
| Pocket alignment | |
| Uniprot sequence: | KVIGNGSFGVVYQVAIKKVFKNRELQIMRKLDCNIVRLRYFNLVLEYVP-ETVYRVARHYIHSQGVCHRDIKPQNLLVLCDFGSA |
| Sequence structure: | KVIGNGSFGVVYQVAIKKVFKNRELQIMRKLDCNIVRLRYFNLVLEYVP_ETVYRVARHYIHSQGVCHRDIKPQNLLVLCDFGSA |
| 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 K 123 | 2 V 124 | 3 I 125 | 4 G 126 | 5 N 127 | 6 G 128 | 7 S 129 | 8 F 130 | 9 G 131 | 10 V 132 | 11 V 133 | 12 Y 134 | 13 Q 135 | 14 V 145 | 15 A 146 | 16 I 147 | 17 K 148 | 18 K 149 | 19 V 150 | 20 F 156 |
| • | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 K 157 | 22 N 158 | 23 R 159 | 24 E 160 | 25 L 161 | 26 Q 162 | 27 I 163 | 28 M 164 | 29 R 165 | 30 K 166 | 31 L 167 | 32 D 168 | 33 C 170 | 34 N 171 | 35 I 172 | 36 V 173 | 37 R 174 | 38 L 175 | 39 R 176 | 40 Y 177 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 F 178 | 42 N 192 | 43 L 193 | 44 V 194 | 45 L 195 | 46 E 196 | 47 Y 197 | 48 V 198 | 49 P 199 | 50 _ _ | 51 E 200 | 52 T 201 | 53 V 202 | 54 Y 203 | 55 R 204 | 56 V 205 | 57 A 206 | 58 R 207 | 59 H 208 | 60 Y 234 |
| • | • | • | ••• | • | • | • | • | ||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 I 235 | 62 H 236 | 63 S 237 | 64 Q 238 | 65 G 239 | 66 V 240 | 67 C 241 | 68 H 242 | 69 R 243 | 70 D 244 | 71 I 245 | 72 K 246 | 73 P 247 | 74 Q 248 | 75 N 249 | 76 L 250 | 77 L 251 | 78 V 252 | 79 L 261 | 80 C 262 |
| • | • | • | • | ||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 263 | 82 F 264 | 83 G 265 | 84 S 266 | 85 A 267 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
