PDB-code
| Kinase structure | |
| Kinase: | CSNK1D (CK1d) |
| Family: | CK1 |
| Group: | CK1 |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1997 |
| PDB: | 6RU8 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2020-05-13 |
| PubMed: | 32719556 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | ADP |
 | |
| More entries for 6RU8 | |||||
| 6RU8 | Alternative model: | A | Chain: | A | |
| 6RU8 | Alternative model: | A | Chain: | B | |
| 6RU8 | Alternative model: | A | Chain: | C | |
| 6RU8 | Alternative model: | A | Chain: | D | |
| 6RU8 | Alternative model: | B | Chain: | B | |
| 6RU8 | Alternative model: | B | Chain: | C | |
| 6RU8 | Alternative model: | B | Chain: | D | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 54.7° (16.8Å) |
| G-rich loop rotation: | 74.5° |
| Quality Score: | 8 |
| Resolution: | 1.92 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I1 I2 I7 | Ligand Yes Yes Yes | Protein No Yes No | |
| Pocket alignment | |
| Uniprot sequence: | RKIGSGSFGDIYLVAIKLEQLHIESKIYKMMQVGIPTIRWCVMVMELLG-PSLEDLFNFYIHSKNFIHRDVKPDNFLMIIDFGLA |
| Sequence structure: | RKIGSGSFGDIYLVAIKLEQLHIESKIYKMMQVGIPTIRWCVMVMELLG_PSLEDLFNFYIHSKNFIHRDVKPDNFLMIIDFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL14830 |
| Bioaffinities: | 2 records for 1 kinase |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 7 | 4.2 | 4.2 | 5.4 | pKd | 2 |
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 13 | 2 K 14 | 3 I 15 | 4 G 16 | 5 S 17 | 6 G 18 | 7 S 19 | 8 F 20 | 9 G 21 | 10 D 22 | 11 I 23 | 12 Y 24 | 13 L 25 | 14 V 35 | 15 A 36 | 16 I 37 | 17 K 38 | 18 L 39 | 19 E 40 | 20 Q 48 |
| • | • | • | • | • | • | •• | |||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 49 | 22 H 50 | 23 I 51 | 24 E 52 | 25 S 53 | 26 K 54 | 27 I 55 | 28 Y 56 | 29 K 57 | 30 M 58 | 31 M 59 | 32 Q 60 | 33 V 63 | 34 G 64 | 35 I 65 | 36 P 66 | 37 T 67 | 38 I 68 | 39 R 69 | 40 W 70 |
| • | • | ||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 C 71 | 42 V 79 | 43 M 80 | 44 V 81 | 45 M 82 | 46 E 83 | 47 L 84 | 48 L 85 | 49 G 86 | 50 _ _ | 51 P 87 | 52 S 88 | 53 L 89 | 54 E 90 | 55 D 91 | 56 L 92 | 57 F 93 | 58 N 94 | 59 F 95 | 60 Y 118 |
| • | • | • | •• | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 I 119 | 62 H 120 | 63 S 121 | 64 K 122 | 65 N 123 | 66 F 124 | 67 I 125 | 68 H 126 | 69 R 127 | 70 D 128 | 71 V 129 | 72 K 130 | 73 P 131 | 74 D 132 | 75 N 133 | 76 F 134 | 77 L 135 | 78 M 136 | 79 I 147 | 80 I 148 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 149 | 82 F 150 | 83 G 151 | 84 L 152 | 85 A 153 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
