PDB-code
| Kinase structure | |
| Kinase: | SIK3 (QSK) |
| Family: | CAMKL |
| Group: | CAMK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2199 |
| PDB: | 8R4U |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2024-03-27 |
| PubMed: | 38508313 |
| Chain: | A |
| Orthosteric ligand: | XW3 |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 62.2° (18.4Å) |
| G-rich loop rotation: | 51° |
| Quality Score: | 8 |
| Resolution: | 2.416 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate back | BP-I-A BP-I-B | Cluster I1 I4 | Ligand No No | Protein Yes Yes |
| Pocket alignment | |
| Uniprot sequence: | RTIGKGNFAVVKRVAIKIIKIFREVQIMKMLCPHIIRLYQVYLVTEYASGGEIFDHLVAFCHCRNIVHRDLKAENLLLIADFGFS |
| Sequence structure: | RTIGKGNFAVVKRVAIKIIKIFREVQIMKMLSPHIIRLYQVYLVTEYASGGEIFDHLVAFCHSRNIVHRDLKAENLLLIADFGFS |
| 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 R 70 | 2 T 71 | 3 I 72 | 4 G 73 | 5 K 74 | 6 G 75 | 7 N 76 | 8 F 77 | 9 A 78 | 10 V 79 | 11 V 80 | 12 K 81 | 13 R 82 | 14 V 92 | 15 A 93 | 16 I 94 | 17 K 95 | 18 I 96 | 19 I 97 | 20 K 109 |
| • | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 I 110 | 22 F 111 | 23 R 112 | 24 E 113 | 25 V 114 | 26 Q 115 | 27 I 116 | 28 M 117 | 29 K 118 | 30 M 119 | 31 L 120 | 32 S 121 | 33 P 123 | 34 H 124 | 35 I 125 | 36 I 126 | 37 R 127 | 38 L 128 | 39 Y 129 | 40 Q 130 |
| • | • | • | • | • | • | ||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 131 | 42 Y 139 | 43 L 140 | 44 V 141 | 45 T 142 | 46 E 143 | 47 Y 144 | 48 A 145 | 49 S 146 | 50 G 147 | 51 G 148 | 52 E 149 | 53 I 150 | 54 F 151 | 55 D 152 | 56 H 153 | 57 L 154 | 58 V 155 | 59 A 156 | 60 F 178 |
| • | • | • | • | ••• | • | • | |||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 C 179 | 62 H 180 | 63 S 181 | 64 R 182 | 65 N 183 | 66 I 184 | 67 V 185 | 68 H 186 | 69 R 187 | 70 D 188 | 71 L 189 | 72 K 190 | 73 A 191 | 74 E 192 | 75 N 193 | 76 L 194 | 77 L 195 | 78 L 196 | 79 I 204 | 80 A 205 |
| • | • | • | • | ||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 206 | 82 F 207 | 83 G 208 | 84 F 209 | 85 S 210 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
