PDB-code
| More entries for 6WQX | |||
| 6WQX | Chain: | C | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 50.1° (16Å) |
| G-rich loop rotation: | 35.9° |
| Quality Score: | 8 |
| Resolution: | 2.53 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I5 | Ligand No | Protein Yes | |
| Pocket alignment | |
| Uniprot sequence: | ELVKQGAEARVFRAVIKHRRTVQEARALLRCRAGISAPVVFCLYMEEIE-GSVTVRDYIRMHDEDLIHGDLTTSNMLLLIDFGLS |
| Sequence structure: | ELVKQGAEARVFRAVIKHRRTVQEARALLRCRAGISAPVVFCLYMEEIE_GSVTVRDYIRMHDEDLIHGDLTTSNMLLLIDFGLS |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL1230989 |
| Bioaffinities: | No (p)Ki/(p)IC50/(p)EC50 values for kinases found (confidence ≥ 8). |
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 E 37 | 2 L 38 | 3 V 39 | 4 K 40 | 5 Q 41 | 6 G 42 | 7 A 43 | 8 E 44 | 9 A 45 | 10 R 46 | 11 V 47 | 12 F 48 | 13 R 49 | 14 A 57 | 15 V 58 | 16 I 59 | 17 K 60 | 18 H 61 | 19 R 62 | 20 R 80 |
| ••• | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 T 81 | 22 V 82 | 23 Q 83 | 24 E 84 | 25 A 85 | 26 R 86 | 27 A 87 | 28 L 88 | 29 L 89 | 30 R 90 | 31 C 91 | 32 R 92 | 33 A 94 | 34 G 95 | 35 I 96 | 36 S 97 | 37 A 98 | 38 P 99 | 39 V 100 | 40 V 101 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 F 102 | 42 C 110 | 43 L 111 | 44 Y 112 | 45 M 113 | 46 E 114 | 47 E 115 | 48 I 116 | 49 E 117 | 50 _ _ | 51 G 118 | 52 S 119 | 53 V 120 | 54 T 121 | 55 V 122 | 56 R 123 | 57 D 124 | 58 Y 125 | 59 I 126 | 60 R 152 |
| • | • | •• | • | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 M 153 | 62 H 154 | 63 D 155 | 64 E 156 | 65 D 157 | 66 L 158 | 67 I 159 | 68 H 160 | 69 G 161 | 70 D 162 | 71 L 163 | 72 T 164 | 73 T 165 | 74 S 166 | 75 N 167 | 76 M 168 | 77 L 169 | 78 L 170 | 79 L 181 | 80 I 182 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 183 | 82 F 184 | 83 G 185 | 84 L 186 | 85 S 187 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:





