PDB-code
| Kinase structure | |
| Kinase: | MKNK2 (MNK2) |
| Family: | MAPKAPK |
| Group: | CAMK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2105 |
| PDB: | 6CKI |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2018-05-09 |
| PubMed: | 29526098 |
| Chain: | A |
| Orthosteric ligand: | FZJ |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 49.1° (15.1Å) |
| G-rich loop rotation: | 76.4° |
| Quality Score: | 8.3 |
| Resolution: | 2.95 Å |
| Missing Residues: | 2 |
| Missing Atoms: | 9 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I2 I3 I4 | Ligand Yes Yes Yes | Protein Yes Yes Yes | |
| Pocket alignment | |
| Uniprot sequence: | DVLGEGAHARVQTYAVKIIRVFREVEMLYQCQRNVLELIEFYLVFEKMRGGSILSHIHKFLHNKGIAHRDLKPENILCICDFDLG |
| Sequence structure: | DVLGEGAHARVQTYAVKIIRVFREVEMLYQCQRNVLELIEFYLVFEKMRGGSILSHIHKFLHNKGIAHRDLKPENILCICDF__G |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL4071021 |
| Bioaffinities: | 2 records for 2 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | MAP kinase-interacting serine/threonine-protein kinase MNK1 | 7.2 | 7.2 | 7.2 | pIC50 | 1 |
| Homo sapiens | MAP kinase signal-integrating kinase 2 | 7.2 | 7.2 | 7.2 | pIC50 | 1 |
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 D 88 | 2 V 89 | 3 L 90 | 4 G 91 | 5 E 92 | 6 G 93 | 7 A 94 | 8 H 95 | 9 A 96 | 10 R 97 | 11 V 98 | 12 Q 99 | 13 T 100 | 14 Y 110 | 15 A 111 | 16 V 112 | 17 K 113 | 18 I 114 | 19 I 115 | 20 R 125 |
| • | • | • | • | • | • | •• | |||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 V 126 | 22 F 127 | 23 R 128 | 24 E 129 | 25 V 130 | 26 E 131 | 27 M 132 | 28 L 133 | 29 Y 134 | 30 Q 135 | 31 C 136 | 32 Q 137 | 33 R 140 | 34 N 141 | 35 V 142 | 36 L 143 | 37 E 144 | 38 L 145 | 39 I 146 | 40 E 147 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 F 148 | 42 Y 156 | 43 L 157 | 44 V 158 | 45 F 159 | 46 E 160 | 47 K 161 | 48 M 162 | 49 R 163 | 50 G 164 | 51 G 165 | 52 S 166 | 53 I 167 | 54 L 168 | 55 S 169 | 56 H 170 | 57 I 171 | 58 H 172 | 59 K 173 | 60 F 195 |
| • | • | • | •• | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 196 | 62 H 197 | 63 N 198 | 64 K 199 | 65 G 200 | 66 I 201 | 67 A 202 | 68 H 203 | 69 R 204 | 70 D 205 | 71 L 206 | 72 K 207 | 73 P 208 | 74 E 209 | 75 N 210 | 76 I 211 | 77 L 212 | 78 C 213 | 79 I 224 | 80 C 225 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 226 | 82 F 227 | 83 _ _ | 84 _ _ | 85 G 228 | |||||||||||||||
| •• | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
