PDB-code
| Kinase structure | |
| Kinase: | MYLK4 (SgK085) |
| Family: | MLCK |
| Group: | CAMK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2111 |
| PDB: | 2X4F |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2010-02-09 |
| Chain: | B |
| (Alternate) Model: | B |
| Orthosteric ligand: | 16X |
 | |
| More entries for 2X4F | |||||
| 2X4F | Alternative model: | A | Chain: | A | |
| 2X4F | Alternative model: | A | Chain: | B | |
| 2X4F | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 50° (15.6Å) |
| G-rich loop rotation: | 49.2° |
| Quality Score: | 8.7 |
| Resolution: | 2.67 Å |
| Missing Residues: | 2 |
| Missing Atoms: | 5 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I4 | Ligand No | Protein Yes | |
| Pocket alignment | |
| Uniprot sequence: | EILGGGRFGQVHKLAAKIIEVKNEISVMNQLDANLIQLYDAVLVMEYVDGGELFDRIIDHMHQMYILHLDLKPENILCIIDFGLA |
| Sequence structure: | EILGGG__GQVHKLAAKIIEVKNEISVMNQLDANLIQLYDAVLVMEYVDGGELFDRIIDHMHQMYILHLDLKPENILCIIDFGLA |
| 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 110 | 2 I 111 | 3 L 112 | 4 G 113 | 5 G 114 | 6 G 115 | 7 _ _ | 8 _ _ | 9 G 118 | 10 Q 119 | 11 V 120 | 12 H 121 | 13 K 122 | 14 L 132 | 15 A 133 | 16 A 134 | 17 K 135 | 18 I 136 | 19 I 137 | 20 E 147 |
| • | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 V 148 | 22 K 149 | 23 N 150 | 24 E 151 | 25 I 152 | 26 S 153 | 27 V 154 | 28 M 155 | 29 N 156 | 30 Q 157 | 31 L 158 | 32 D 159 | 33 A 161 | 34 N 162 | 35 L 163 | 36 I 164 | 37 Q 165 | 38 L 166 | 39 Y 167 | 40 D 168 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 169 | 42 V 177 | 43 L 178 | 44 V 179 | 45 M 180 | 46 E 181 | 47 Y 182 | 48 V 183 | 49 D 184 | 50 G 185 | 51 G 186 | 52 E 187 | 53 L 188 | 54 F 189 | 55 D 190 | 56 R 191 | 57 I 192 | 58 I 193 | 59 D 194 | 60 H 217 |
| • | • | •• | ••• | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 M 218 | 62 H 219 | 63 Q 220 | 64 M 221 | 65 Y 222 | 66 I 223 | 67 L 224 | 68 H 225 | 69 L 226 | 70 D 227 | 71 L 228 | 72 K 229 | 73 P 230 | 74 E 231 | 75 N 232 | 76 I 233 | 77 L 234 | 78 C 235 | 79 I 245 | 80 I 246 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 247 | 82 F 248 | 83 G 249 | 84 L 250 | 85 A 251 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
