PDB-code
| Kinase structure | |
| Kinase: | CDK8 |
| Family: | CDK |
| Group: | CMGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1980 |
| PDB: | 5IDN |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2016-12-21 |
| PubMed: | 27490956 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | 6A7 |
 | |
| More entries for 5IDN | |||||
| 5IDN | Alternative model: | A | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 51.4° (15.9Å) |
| G-rich loop rotation: | 51.6° |
| Quality Score: | 8 |
| Resolution: | 2.26 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I2 I5 | Ligand No No | Protein Yes Yes | |
| Pocket alignment | |
| Uniprot sequence: | CKVGRGTYGHVYKYALKQISACREIALLRELKPNVISLQKVWLLFDYAE-HDLWHIIKFYLHANWVLHRDLKPANILVIADMGFA |
| Sequence structure: | CKVGRGTYGHVYKYALKQISACREIALLRELKPNVISLQKVWLLFDYAE_HDLWHIIKFYLHANWVLHRDLKPANILVIADMGFA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL3903492 |
| Bioaffinities: | 6 records for 2 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Cell division protein kinase 8 | 8.1 | 7.3 | 8.2 | pIC50 | 5 |
| Homo sapiens | Glycogen synthase kinase-3 alpha | 6.2 | 6.2 | 6.2 | 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 C 25 | 2 K 26 | 3 V 27 | 4 G 28 | 5 R 29 | 6 G 30 | 7 T 31 | 8 Y 32 | 9 G 33 | 10 H 34 | 11 V 35 | 12 Y 36 | 13 K 37 | 14 Y 49 | 15 A 50 | 16 L 51 | 17 K 52 | 18 Q 53 | 19 I 54 | 20 S 62 |
| • | • | •• | • | • | •• | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 A 63 | 22 C 64 | 23 R 65 | 24 E 66 | 25 I 67 | 26 A 68 | 27 L 69 | 28 L 70 | 29 R 71 | 30 E 72 | 31 L 73 | 32 K 74 | 33 P 76 | 34 N 77 | 35 V 78 | 36 I 79 | 37 S 80 | 38 L 81 | 39 Q 82 | 40 K 83 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 84 | 42 W 94 | 43 L 95 | 44 L 96 | 45 F 97 | 46 D 98 | 47 Y 99 | 48 A 100 | 49 E 101 | 50 _ _ | 51 H 102 | 52 D 103 | 53 L 104 | 54 W 105 | 55 H 106 | 56 I 107 | 57 I 108 | 58 K 109 | 59 F 110 | 60 Y 141 |
| •• | • | • | •• | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 142 | 62 H 143 | 63 A 144 | 64 N 145 | 65 W 146 | 66 V 147 | 67 L 148 | 68 H 149 | 69 R 150 | 70 D 151 | 71 L 152 | 72 K 153 | 73 P 154 | 74 A 155 | 75 N 156 | 76 I 157 | 77 L 158 | 78 V 159 | 79 I 171 | 80 A 172 |
| • | • | • | • | ||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 173 | 82 M 174 | 83 G 175 | 84 F 176 | 85 A 177 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
