PDB-code
| Kinase structure | |
| Kinase: | CSNK1A1 (CK1a) |
| Family: | CK1 |
| Group: | CK1 |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1995 |
| PDB: | 6GZD |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2018-08-29 |
| PubMed: | 30146162 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | LCI |
 | |
| More entries for 6GZD | |||||
| 6GZD | Alternative model: | A | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 49.7° (15.4Å) |
| G-rich loop rotation: | 76.3° |
| Quality Score: | 8 |
| Resolution: | 2.28 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I2 I5 | Ligand No No | Protein Yes Yes | |
| Allosteric Ligand | |||||||||||||||||||
| Allosteric ligand: | TCE | ||||||||||||||||||
 | |||||||||||||||||||
| Pocket alignment | |
| Uniprot sequence: | RKIGSGSFGDIYLVAVKLEQLLYESKLYKILQVGIPHIRWYVLVMDLLG-PSLEDLFNFYVHTKNFIHRDIKPDNFLMLIDFGLA |
| Sequence structure: | RKIGSGSFGDIYLVAVKLEQLHYESKLYKILQVGIPHIRWYVLVMDLLG_PSLEDLFNFYVHTKNFIHRDIKPDNFLMLIDFGLA |
| 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 R 21 | 2 K 22 | 3 I 23 | 4 G 24 | 5 S 25 | 6 G 26 | 7 S 27 | 8 F 28 | 9 G 29 | 10 D 30 | 11 I 31 | 12 Y 32 | 13 L 33 | 14 V 43 | 15 A 44 | 16 V 45 | 17 K 46 | 18 L 47 | 19 E 48 | 20 Q 56 |
| • | • | • | • | • | • | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 57 | 22 H 58 | 23 Y 59 | 24 E 60 | 25 S 61 | 26 K 62 | 27 L 63 | 28 Y 64 | 29 K 65 | 30 I 66 | 31 L 67 | 32 Q 68 | 33 V 71 | 34 G 72 | 35 I 73 | 36 P 74 | 37 H 75 | 38 I 76 | 39 R 77 | 40 W 78 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 Y 79 | 42 V 87 | 43 L 88 | 44 V 89 | 45 M 90 | 46 D 91 | 47 L 92 | 48 L 93 | 49 G 94 | 50 _ _ | 51 P 95 | 52 S 96 | 53 L 97 | 54 E 98 | 55 D 99 | 56 L 100 | 57 F 101 | 58 N 102 | 59 F 103 | 60 Y 126 |
| • | • | • | ••• | • | • | •• | |||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 V 127 | 62 H 128 | 63 T 129 | 64 K 130 | 65 N 131 | 66 F 132 | 67 I 133 | 68 H 134 | 69 R 135 | 70 D 136 | 71 I 137 | 72 K 138 | 73 P 139 | 74 D 140 | 75 N 141 | 76 F 142 | 77 L 143 | 78 M 144 | 79 L 155 | 80 I 156 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 157 | 82 F 158 | 83 G 159 | 84 L 160 | 85 A 161 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
