PDB-code
| Kinase structure | |
| Kinase: | TTBK2 |
| Family: | TTBK |
| Group: | CK1 |
| Species: | HUMAN |
| PDB: | 6U0K |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2020-03-11 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | DTQ |
 | |
| More entries for 6U0K | |||||
| 6U0K | Alternative model: | A | Chain: | A | |
| 6U0K | Alternative model: | A | Chain: | B | |
| 6U0K | Alternative model: | B | Chain: | B | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | - |
| G-rich loop rotation: | - |
| Quality Score: | 9.2 |
| Resolution: | 1.74 Å |
| Missing Residues: | 1 |
| Missing Atoms: | 4 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate | BP-I-B | Cluster I1 I3 I10 | Ligand No No No | Protein Yes Yes Yes |
| Pocket alignment | |
| Uniprot sequence: | RKIGGGGFGEIYDVALKVEVLKMEVAVLKKLQDHVCRFIGCYVVMQLQG-RNLADLRRSSIHSVGFLHRDIKPSNFAMMLDFGLA |
| Sequence structure: | RKIGG_GFGEIYDVALKVEVLKMEVAVLKKLQDHVCRFIGCYVVMQLQG_RNLADLRRSSIHSVGFLHRDIKPSNFAMMLDFGLA |
| 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 R 25 | 2 K 26 | 3 I 27 | 4 G 28 | 5 G 29 | 6 _ _ | 7 G 31 | 8 F 32 | 9 G 33 | 10 E 34 | 11 I 35 | 12 Y 36 | 13 D 37 | 14 V 47 | 15 A 48 | 16 L 49 | 17 K 50 | 18 V 51 | 19 E 52 | 20 V 60 |
| • | • | • | • | • | • | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 61 | 22 K 62 | 23 M 63 | 24 E 64 | 25 V 65 | 26 A 66 | 27 V 67 | 28 L 68 | 29 K 69 | 30 K 70 | 31 L 71 | 32 Q 72 | 33 D 75 | 34 H 76 | 35 V 77 | 36 C 78 | 37 R 79 | 38 F 80 | 39 I 81 | 40 G 82 |
| •• | • | ||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 C 83 | 42 Y 91 | 43 V 92 | 44 V 93 | 45 M 94 | 46 Q 95 | 47 L 96 | 48 Q 97 | 49 G 98 | 50 _ _ | 51 R 99 | 52 N 100 | 53 L 101 | 54 A 102 | 55 D 103 | 56 L 104 | 57 R 105 | 58 R 106 | 59 S 107 | 60 S 131 |
| • | • | • | •• | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 I 132 | 62 H 133 | 63 S 134 | 64 V 135 | 65 G 136 | 66 F 137 | 67 L 138 | 68 H 139 | 69 R 140 | 70 D 141 | 71 I 142 | 72 K 143 | 73 P 144 | 74 S 145 | 75 N 146 | 76 F 147 | 77 A 148 | 78 M 149 | 79 M 161 | 80 L 162 |
| • | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 163 | 82 F 164 | 83 G 165 | 84 L 166 | 85 A 167 | |||||||||||||||
| • | • | ||||||||||||||||||
Interaction pattern search
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