PDB-code
| Kinase structure | |
| Kinase: | MKNK1 (MNK1) |
| Family: | MAPKAPK |
| Group: | CAMK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2104 |
| PDB: | 5WVD |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2018-01-03 |
| PubMed: | 29497019 |
| Chain: | A |
| Orthosteric ligand: | 7UX |
 | |
| More entries for 5WVD | |||
| 5WVD | Chain: | B | |
| Structural information | |
| DFG conformation: | out |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 55.3° (17.3Å) |
| G-rich loop rotation: | 28.5° |
| Quality Score: | 7.2 |
| Resolution: | 3 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front gate | BP-I-B | |||
| Pocket alignment | |
| Uniprot sequence: | ELLGEGAYAKVQGYAVKIIRVFREVETLYQCQKNILELIEFYLVFEKLQGGSILAHIQKFLHTKGIAHRDLKPENILCICDFDLG |
| Sequence structure: | ELLGEGAYAKVQGYAVKIIRVFREVETLYQCQKNILELIEFYLVFEKLQGGSILAHIQKFLHTKGIAHRDLKPENILCICDFDLG |
| 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 E 53 | 2 L 54 | 3 L 55 | 4 G 56 | 5 E 57 | 6 G 58 | 7 A 59 | 8 Y 60 | 9 A 61 | 10 K 62 | 11 V 63 | 12 Q 64 | 13 G 65 | 14 Y 75 | 15 A 76 | 16 V 77 | 17 K 78 | 18 I 79 | 19 I 80 | 20 R 90 |
| • | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 V 91 | 22 F 92 | 23 R 93 | 24 E 94 | 25 V 95 | 26 E 96 | 27 T 97 | 28 L 98 | 29 Y 99 | 30 Q 100 | 31 C 101 | 32 Q 102 | 33 K 105 | 34 N 106 | 35 I 107 | 36 L 108 | 37 E 109 | 38 L 110 | 39 I 111 | 40 E 112 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 F 113 | 42 Y 121 | 43 L 122 | 44 V 123 | 45 F 124 | 46 E 125 | 47 K 126 | 48 L 127 | 49 Q 128 | 50 G 129 | 51 G 130 | 52 S 131 | 53 I 132 | 54 L 133 | 55 A 134 | 56 H 135 | 57 I 136 | 58 Q 137 | 59 K 138 | 60 F 160 |
| •• | • | •• | • | • | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 161 | 62 H 162 | 63 T 163 | 64 K 164 | 65 G 165 | 66 I 166 | 67 A 167 | 68 H 168 | 69 R 169 | 70 D 170 | 71 L 171 | 72 K 172 | 73 P 173 | 74 E 174 | 75 N 175 | 76 I 176 | 77 L 177 | 78 C 178 | 79 I 189 | 80 C 190 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 191 | 82 F 192 | 83 D 193 | 84 L 194 | 85 G 195 | |||||||||||||||
| • | •• | ||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
