PDB-code
| Kinase structure | |
| Kinase: | TTBK1 |
| Family: | TTBK |
| Group: | CK1 |
| Species: | HUMAN |
| PDB: | 4BTJ |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2013-09-25 |
| PubMed: | 24039150 |
| Chain: | B |
| Orthosteric ligand: | ATP |
 | |
| More entries for 4BTJ | |||
| 4BTJ | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 52.8° (16.6Å) |
| G-rich loop rotation: | 38.9° |
| Quality Score: | 8 |
| Resolution: | 2.16 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-II | Cluster I1 I5 I11 | Ligand No No Yes | Protein Yes Yes No |
| Pocket alignment | |
| Uniprot sequence: | KKIGGGGFGEIYEVALKVEVLKMEVAVLKKLQDHVCRFIGCYVVMQLQG-RNLADLRRSAIHSVGFLHRDIKPSNFAMMLDFGLA |
| Sequence structure: | KKIGGGGFGEIYEVALKVEVLKMEVAVLKKLQDHVCRFIGCYVVMQLQG_RNLADLRRSAIHSVGFLHRDIKPSNFAMMLDFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL14249 |
| Bioaffinities: | 4 records for 2 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | MAP kinase-activated protein kinase 2 | 5.2 | 4.9 | 5.6 | pIC50 | 3 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 7 | 5.6 | 5.6 | 5.6 | pKd | 1 |
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 67 | 7 G 68 | 8 F 69 | 9 G 70 | 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
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
