PDB-code
| Kinase structure | |
| Kinase: | TTBK1 |
| Family: | TTBK |
| Group: | CK1 |
| Species: | HUMAN |
| PDB: | 4BTK |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2013-09-25 |
| PubMed: | 24039150 |
| Chain: | A |
| Orthosteric ligand: | DTQ |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | - |
| G-rich loop rotation: | - |
| Quality Score: | 6.8 |
| Resolution: | 2 Å |
| Missing Residues: | 3 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate | BP-I-B | Cluster I3 I10 | Ligand No No | Protein Yes Yes |
| Pocket alignment | |
| Uniprot sequence: | KKIGGGGFGEIYEVALKVEVLKMEVAVLKKLQDHVCRFIGCYVVMQLQG-RNLADLRRSAIHSVGFLHRDIKPSNFAMMLDFGLA |
| Sequence structure: | KKIGGG___EIYEVALKVEVLKMEVAVLKKLQDHVCRFIGCYVVMQLQG_RNLADLRRSAIHSVGFLHRDIKPSNFAMMLDFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL127907 |
| Bioaffinities: | 11 records for 6 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Cyclin-dependent kinase 2 | 6 | 6 | 6 | pIC50 | 1 |
| Homo sapiens | Ephrin type-B receptor 2 | 5.9 | 5.9 | 5.9 | pIC50 | 1 |
| Homo sapiens | Ephrin type-B receptor 2 | 5.6 | 5.6 | 5.6 | pKd | 1 |
| Homo sapiens | Fibroblast growth factor receptor 1 | 5 | 5 | 5 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor RET | 8.4 | 8.4 | 8.4 | pIC50 | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 1 | 6.7 | 6.7 | 6.7 | pIC50 | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 7.3 | 6.1 | 7.3 | pIC50 | 5 |
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 62 | 2 K 63 | 3 I 64 | 4 G 65 | 5 G 66 | 6 G 70 | 7 _ _ | 8 _ _ | 9 _ _ | 10 E 71 | 11 I 72 | 12 Y 73 | 13 E 74 | 14 V 84 | 15 A 85 | 16 L 86 | 17 K 87 | 18 V 88 | 19 E 89 | 20 V 97 |
| • | • | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 98 | 22 K 99 | 23 M 100 | 24 E 101 | 25 V 102 | 26 A 103 | 27 V 104 | 28 L 105 | 29 K 106 | 30 K 107 | 31 L 108 | 32 Q 109 | 33 D 112 | 34 H 113 | 35 V 114 | 36 C 115 | 37 R 116 | 38 F 117 | 39 I 118 | 40 G 119 |
| •• | • | ||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 C 120 | 42 Y 128 | 43 V 129 | 44 V 130 | 45 M 131 | 46 Q 132 | 47 L 133 | 48 Q 134 | 49 G 135 | 50 _ _ | 51 R 136 | 52 N 137 | 53 L 138 | 54 A 139 | 55 D 140 | 56 L 141 | 57 R 142 | 58 R 143 | 59 S 144 | 60 A 168 |
| • | • | • | •• | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 I 169 | 62 H 170 | 63 S 171 | 64 V 172 | 65 G 173 | 66 F 174 | 67 L 175 | 68 H 176 | 69 R 177 | 70 D 178 | 71 I 179 | 72 K 180 | 73 P 181 | 74 S 182 | 75 N 183 | 76 F 184 | 77 A 185 | 78 M 186 | 79 M 198 | 80 L 199 |
| • | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 200 | 82 F 201 | 83 G 202 | 84 L 203 | 85 A 204 | |||||||||||||||
| • | •• | ||||||||||||||||||
Interaction pattern search
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