PDB-code
| Kinase structure | |
| Kinase: | MAP2K6 |
| Family: | STE7 |
| Group: | STE |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2067 |
| PDB: | 8P7J |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2023-07-05 |
| PubMed: | 39716901 |
| Chain: | A |
| Orthosteric ligand: | X3K |
 | |
| Structural information | |
| DFG conformation: | out-like |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 56.3° (17.3Å) |
| G-rich loop rotation: | 46.8° |
| Quality Score: | 8 |
| Resolution: | 2.4 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | ||||
| Pocket alignment | |
| Uniprot sequence: | MELGRGAYGVVEKMAVKRIRLLMDLDISMRTVPFTVTFYGAWICMELMD-TSLDKFYKQLHSKLSVIHRDVKPSNVLIMCDFGIS |
| Sequence structure: | MELGRGAYGVVEKMAVKRIRLLMDLDISMRTVPFTVTFYGAWICMELMD_TSLDKFYKQLHSKLSVIHRDVKPSNVLIMCDFGIS |
| 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 M 57 | 2 E 58 | 3 L 59 | 4 G 60 | 5 R 61 | 6 G 62 | 7 A 63 | 8 Y 64 | 9 G 65 | 10 V 66 | 11 V 67 | 12 E 68 | 13 K 69 | 14 M 79 | 15 A 80 | 16 V 81 | 17 K 82 | 18 R 83 | 19 I 84 | 20 R 95 |
| • | • | •• | • | • | • | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 96 | 22 L 97 | 23 M 98 | 24 D 99 | 25 L 100 | 26 D 101 | 27 I 102 | 28 S 103 | 29 M 104 | 30 R 105 | 31 T 106 | 32 V 107 | 33 P 110 | 34 F 111 | 35 T 112 | 36 V 113 | 37 T 114 | 38 F 115 | 39 Y 116 | 40 G 117 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 118 | 42 W 126 | 43 I 127 | 44 C 128 | 45 M 129 | 46 E 130 | 47 L 131 | 48 M 132 | 49 D 133 | 50 _ _ | 51 T 134 | 52 S 135 | 53 L 136 | 54 D 137 | 55 K 138 | 56 F 139 | 57 Y 140 | 58 K 141 | 59 Q 142 | 60 L 169 |
| • | • | • | •• | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 H 170 | 62 S 171 | 63 K 172 | 64 L 173 | 65 S 174 | 66 V 175 | 67 I 176 | 68 H 177 | 69 R 178 | 70 D 179 | 71 V 180 | 72 K 181 | 73 P 182 | 74 S 183 | 75 N 184 | 76 V 185 | 77 L 186 | 78 I 187 | 79 M 195 | 80 C 196 |
| • | • | • | |||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 197 | 82 F 198 | 83 G 199 | 84 I 200 | 85 S 201 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
