PDB-code
| Structural information | |
| DFG conformation: | out |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | 44.9° (16.2Å) |
| G-rich loop rotation: | 107.3° |
| Quality Score: | 4 |
| Resolution: | 2.4 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front gate back | BP-I-A BP-I-B | |||
| Pocket alignment | |
| Uniprot sequence: | KRVGEGAVKRVFLVALSRLDFLHGLQMLKSLQEHVVTLVGYTILTEYHPLGSLSNLEETYLHHSPLGTRVMCDSNDLPANDLDAL |
| Sequence structure: | LKRVGEGAVKRVFVALSRLFLHGLQMLKSLQSHVVTLVGYCLTEYHPLGSLSNLEETLQYLHHSPLGTRVMCDSNDLPLTSNFSI |
| 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 L 83 | 2 K 84 | 3 R 85 | 4 V 86 | 5 G 87 | 6 E 88 | 7 G 89 | 8 A 90 | 9 V 91 | 10 K 92 | 11 R 93 | 12 V 94 | 13 F 95 | 14 V 104 | 15 A 105 | 16 L 106 | 17 S 107 | 18 R 108 | 19 L 109 | 20 F 118 |
| • | • | •• | • | • | • | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 119 | 22 H 120 | 23 G 121 | 24 L 122 | 25 Q 123 | 26 M 124 | 27 L 125 | 28 K 126 | 29 S 127 | 30 L 128 | 31 Q 129 | 32 S 130 | 33 H 132 | 34 V 133 | 35 V 134 | 36 T 135 | 37 L 136 | 38 V 137 | 39 G 138 | 40 Y 139 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 C 140 | 42 L 147 | 43 T 148 | 44 E 149 | 45 Y 150 | 46 H 151 | 47 P 152 | 48 L 153 | 49 G 154 | 50 S 155 | 51 L 156 | 52 S 157 | 53 N 158 | 54 L 159 | 55 E 160 | 56 E 161 | 57 T 162 | 58 L 163 | 59 Q 164 | 60 Y 190 |
| • | •• | •• | • | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 191 | 62 H 192 | 63 H 193 | 64 S 194 | 65 P 195 | 66 L 196 | 67 G 197 | 68 T 198 | 69 R 199 | 70 V 200 | 71 M 201 | 72 C 202 | 73 D 203 | 74 S 204 | 75 N 205 | 76 D 206 | 77 L 207 | 78 P 208 | 79 L 216 | 80 T 217 |
| •• | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 S 218 | 82 N 219 | 83 F 220 | 84 S 221 | 85 I 222 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:





