PDB-code
| Kinase structure | |
| Kinase: | CSNK1G3 (CK1g3) |
| Family: | CK1 |
| Group: | CK1 |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2001 |
| PDB: | 4HGS |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2012-11-21 |
| Chain: | A |
| Orthosteric ligand: | 15G |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 60° (18.5Å) |
| G-rich loop rotation: | 80.4° |
| Quality Score: | 8 |
| Resolution: | 2.4 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I2 I5 I9 | Ligand No Yes Yes | Protein Yes Yes No | |
| Pocket alignment | |
| Uniprot sequence: | KKIGCGNFGELRLVAIKLEQLHLEYRFYKQLGDGIPQVYYFAMVLELLG-PSLEDLFDLYVHSKNLIYRDVKPENFLIIIDFGLA |
| Sequence structure: | KKIGCGNFGELRLVAIKLEQLHLEYRFYKQLGDGIPQVYYFAMVLELLG_PSLEDLFDLYVHSKNLIYRDVKPENFLIIIDFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL2203563 |
| Bioaffinities: | 6 records for 4 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Casein kinase I alpha | 6.6 | 6.6 | 6.6 | pIC50 | 1 |
| Homo sapiens | Casein kinase I delta | 7.4 | 7.4 | 7.4 | pIC50 | 1 |
| Homo sapiens | Casein kinase I gamma 2 | 6.7 | 6.6 | 8.3 | pIC50 | 3 |
| Homo sapiens | Glycogen synthase kinase-3 beta | 5 | 5 | 5 | pIC50 | 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 47 | 2 K 48 | 3 I 49 | 4 G 50 | 5 C 51 | 6 G 52 | 7 N 53 | 8 F 54 | 9 G 55 | 10 E 56 | 11 L 57 | 12 R 58 | 13 L 59 | 14 V 69 | 15 A 70 | 16 I 71 | 17 K 72 | 18 L 73 | 19 E 74 | 20 Q 82 |
| • | • | • | • | •• | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 83 | 22 H 84 | 23 L 85 | 24 E 86 | 25 Y 87 | 26 R 88 | 27 F 89 | 28 Y 90 | 29 K 91 | 30 Q 92 | 31 L 93 | 32 G 94 | 33 D 97 | 34 G 98 | 35 I 99 | 36 P 100 | 37 Q 101 | 38 V 102 | 39 Y 103 | 40 Y 104 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 F 105 | 42 A 113 | 43 M 114 | 44 V 115 | 45 L 116 | 46 E 117 | 47 L 118 | 48 L 119 | 49 G 120 | 50 _ _ | 51 P 121 | 52 S 122 | 53 L 123 | 54 E 124 | 55 D 125 | 56 L 126 | 57 F 127 | 58 D 128 | 59 L 129 | 60 Y 152 |
| • | • | • | •• | • | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 V 153 | 62 H 154 | 63 S 155 | 64 K 156 | 65 N 157 | 66 L 158 | 67 I 159 | 68 Y 160 | 69 R 161 | 70 D 162 | 71 V 163 | 72 K 164 | 73 P 165 | 74 E 166 | 75 N 167 | 76 F 168 | 77 L 169 | 78 I 170 | 79 I 183 | 80 I 184 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 185 | 82 F 186 | 83 G 187 | 84 L 188 | 85 A 189 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
