PDB-code
| Kinase structure | |
| Kinase: | CAMK4 (CaMK4) |
| Family: | CAMK1 |
| Group: | CAMK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1955 |
| PDB: | 2W4O |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2009-01-20 |
| Chain: | A |
| Orthosteric ligand: | DKI |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | na |
| G-rich loop angle (distance): | 45.5° (13.7Å) |
| G-rich loop rotation: | 50.4° |
| Quality Score: | 4 |
| Resolution: | 2.17 Å |
| Missing Residues: | 7 |
| Missing Atoms: | 36 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-I | Cluster I1 I2 I9 O2 | Ligand Yes No No No | Protein No Yes No No |
| Pocket alignment | |
| Uniprot sequence: | SELGRGATSIVYRYALKVLIVRTEIGVLLRLSPNIIKLKEISLVLELVTGGELFDRIVEYLHENGIVHRDLKPENLLYIADFGLS |
| Sequence structure: | SELGRGATSIVYRYALKVL_____IGVLLRLSPNIIKLKEISLVLELVTGGELFDRIVEYLHENGIVHRDLKPENLLYIADFG__ |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL261720 |
| Bioaffinities: | 7 records for 5 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Dual specificity protein kinase CLK3 | 7.5 | 7.5 | 7.5 | pIC50 | 1 |
| Homo sapiens | Dual specificty protein kinase CLK1 | 8.1 | 8.1 | 8.1 | pIC50 | 1 |
| Homo sapiens | Glycogen synthase kinase-3 beta | 6.7 | 6.7 | 6.9 | pIC50 | 2 |
| Homo sapiens | Interferon-induced, double-stranded RNA-activated protein kinase | 5.8 | 5.8 | 5.8 | pIC50 | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 7.5 | 7.5 | 7.5 | pIC50 | 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 S 50 | 2 E 51 | 3 L 52 | 4 G 53 | 5 R 54 | 6 G 55 | 7 A 56 | 8 T 57 | 9 S 58 | 10 I 59 | 11 V 60 | 12 Y 61 | 13 R 62 | 14 Y 72 | 15 A 73 | 16 L 74 | 17 K 75 | 18 V 76 | 19 L 77 | 20 _ _ |
| • | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 _ _ | 22 _ _ | 23 _ _ | 24 _ _ | 25 I 90 | 26 G 91 | 27 V 92 | 28 L 93 | 29 L 94 | 30 R 95 | 31 L 96 | 32 S 97 | 33 P 99 | 34 N 100 | 35 I 101 | 36 I 102 | 37 K 103 | 38 L 104 | 39 K 105 | 40 E 106 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 I 107 | 42 S 115 | 43 L 116 | 44 V 117 | 45 L 118 | 46 E 119 | 47 L 120 | 48 V 121 | 49 T 122 | 50 G 123 | 51 G 124 | 52 E 125 | 53 L 126 | 54 F 127 | 55 D 128 | 56 R 129 | 57 I 130 | 58 V 131 | 59 E 132 | 60 Y 154 |
| • | • | • | ••• | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 155 | 62 H 156 | 63 E 157 | 64 N 158 | 65 G 159 | 66 I 160 | 67 V 161 | 68 H 162 | 69 R 163 | 70 D 164 | 71 L 165 | 72 K 166 | 73 P 167 | 74 E 168 | 75 N 169 | 76 L 170 | 77 L 171 | 78 Y 172 | 79 I 183 | 80 A 184 |
| • | • | • | • | ||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 185 | 82 F 186 | 83 G 203 | 84 _ _ | 85 _ _ | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
