PDB-code
| Kinase structure | |
| Kinase: | STK17A (DRAK1) |
| Family: | DAPK |
| Group: | CAMK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2214 |
| PDB: | 7QUE |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2022-02-02 |
| PubMed: | 35608370 |
| Chain: | A |
| Orthosteric ligand: | F7I |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 56.5° (17Å) |
| G-rich loop rotation: | 53° |
| Quality Score: | 6 |
| Resolution: | 2.4 Å |
| Missing Residues: | 5 |
| Missing Atoms: | 25 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | FP-II | |||
| Pocket alignment | |
| Uniprot sequence: | RELGRGKFAVVRKFAAKFMEIIHEIAVLELAQPWVINLHEVILVLEYAAGGEIFDQCVAFLHTRDVVHLDLKPQNILLIVDFGLS |
| Sequence structure: | RELGRGKFAVVRKFAAKFMEIIHEIAVLELAQPWVINLHEVILVLEYAAGGEIF_____FLHTRDVVHLDLKPQNILLIVDFGLS |
| Ligand affinity | |
| Ligand not found in ChEMBL. | |
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 65 | 2 E 66 | 3 L 67 | 4 G 68 | 5 R 69 | 6 G 70 | 7 K 71 | 8 F 72 | 9 A 73 | 10 V 74 | 11 V 75 | 12 R 76 | 13 K 77 | 14 F 87 | 15 A 88 | 16 A 89 | 17 K 90 | 18 F 91 | 19 M 92 | 20 E 104 |
| • | • | • | • | • | • | • | •• | ||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 I 105 | 22 I 106 | 23 H 107 | 24 E 108 | 25 I 109 | 26 A 110 | 27 V 111 | 28 L 112 | 29 E 113 | 30 L 114 | 31 A 115 | 32 Q 116 | 33 P 119 | 34 W 120 | 35 V 121 | 36 I 122 | 37 N 123 | 38 L 124 | 39 H 125 | 40 E 126 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 127 | 42 I 135 | 43 L 136 | 44 V 137 | 45 L 138 | 46 E 139 | 47 Y 140 | 48 A 141 | 49 A 142 | 50 G 143 | 51 G 144 | 52 E 145 | 53 I 146 | 54 F 147 | 55 _ _ | 56 _ _ | 57 _ _ | 58 _ _ | 59 _ _ | 60 F 176 |
| • | •• | •• | • | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 177 | 62 H 178 | 63 T 179 | 64 R 180 | 65 D 181 | 66 V 182 | 67 V 183 | 68 H 184 | 69 L 185 | 70 D 186 | 71 L 187 | 72 K 188 | 73 P 189 | 74 Q 190 | 75 N 191 | 76 I 192 | 77 L 193 | 78 L 194 | 79 I 205 | 80 V 206 |
| • | • | • | |||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 207 | 82 F 208 | 83 G 209 | 84 L 210 | 85 S 211 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
