PDB-code
| Kinase structure | |
| Kinase: | TTBK1 |
| Family: | TTBK |
| Group: | CK1 |
| Species: | HUMAN |
| PDB: | 7Q8W |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2022-03-09 |
| PubMed: | 34978799 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | 9IO |
 | |
| More entries for 7Q8W | |||||
| 7Q8W | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 53.2° (16.7Å) |
| G-rich loop rotation: | 49.8° |
| Quality Score: | 8 |
| Resolution: | 2.02 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I3 | Ligand No | Protein Yes | |
| Pocket alignment | |
| Uniprot sequence: | KKIGGGGFGEIYEVALKVEVLKMEVAVLKKLQDHVCRFIGCYVVMQLQG-RNLADLRRSAIHSVGFLHRDIKPSNFAMMLDFGLA |
| Sequence structure: | KKIGGGGFGEIYEVALKVEVLKMEVAVLKKLQDHVCRFIGCYVVMQLQG_RNLADLRRSAIHSVGFLHRDIKPSNFAMMLDFGLA |
| 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 38 | 2 K 39 | 3 I 40 | 4 G 41 | 5 G 42 | 6 G 43 | 7 G 44 | 8 F 45 | 9 G 46 | 10 E 47 | 11 I 48 | 12 Y 49 | 13 E 50 | 14 V 60 | 15 A 61 | 16 L 62 | 17 K 63 | 18 V 64 | 19 E 65 | 20 V 73 |
| • | • | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 74 | 22 K 75 | 23 M 76 | 24 E 77 | 25 V 78 | 26 A 79 | 27 V 80 | 28 L 81 | 29 K 82 | 30 K 83 | 31 L 84 | 32 Q 85 | 33 D 88 | 34 H 89 | 35 V 90 | 36 C 91 | 37 R 92 | 38 F 93 | 39 I 94 | 40 G 95 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 C 96 | 42 Y 104 | 43 V 105 | 44 V 106 | 45 M 107 | 46 Q 108 | 47 L 109 | 48 Q 110 | 49 G 111 | 50 _ _ | 51 R 112 | 52 N 113 | 53 L 114 | 54 A 115 | 55 D 116 | 56 L 117 | 57 R 118 | 58 R 119 | 59 S 120 | 60 A 144 |
| • | • | • | •• | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 I 145 | 62 H 146 | 63 S 147 | 64 V 148 | 65 G 149 | 66 F 150 | 67 L 151 | 68 H 152 | 69 R 153 | 70 D 154 | 71 I 155 | 72 K 156 | 73 P 157 | 74 S 158 | 75 N 159 | 76 F 160 | 77 A 161 | 78 M 162 | 79 M 174 | 80 L 175 |
| • | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 176 | 82 F 177 | 83 G 178 | 84 L 179 | 85 A 180 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
