PDB-code
| Kinase structure | |
| Kinase: | MAP2K4 |
| Family: | STE7 |
| Group: | STE |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2065 |
| PDB: | 3ALN |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2010-10-27 |
| PubMed: | 20732303 |
| Chain: | A |
| Orthosteric ligand: | ANP |
 | |
| More entries for 3ALN | |||
| 3ALN | Chain: | B | |
| 3ALN | Chain: | C | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | 45.9° (13.9Å) |
| G-rich loop rotation: | 46.2° |
| Quality Score: | 9.7 |
| Resolution: | 2.3 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 3 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | ||||
| Pocket alignment | |
| Uniprot sequence: | GEIGRGAYGSVNKMAVKRIQLLMDLDVVMRSSPYIVQFYGAWICMELMS-TSFDKFYKYLKENLKIIHRDIKPSNILLLCDFGIS |
| Sequence structure: | GEIGRGAYGSVNKMAVKRIQLLMDLDVVMRSSPYIVQFYGAWICMELMS_TSFDKFYKYLKENLKIIHRDIKPSNILLLCDFGIS |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL1230989 |
| Bioaffinities: | No (p)Ki/(p)IC50/(p)EC50 values for kinases found (confidence ≥ 8). |
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 G 106 | 2 E 107 | 3 I 108 | 4 G 109 | 5 R 110 | 6 G 111 | 7 A 112 | 8 Y 113 | 9 G 114 | 10 S 115 | 11 V 116 | 12 N 117 | 13 K 118 | 14 M 128 | 15 A 129 | 16 V 130 | 17 K 131 | 18 R 132 | 19 I 133 | 20 Q 144 |
| • | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 145 | 22 L 146 | 23 M 147 | 24 D 148 | 25 L 149 | 26 D 150 | 27 V 151 | 28 V 152 | 29 M 153 | 30 R 154 | 31 S 155 | 32 S 156 | 33 P 159 | 34 Y 160 | 35 I 161 | 36 V 162 | 37 Q 163 | 38 F 164 | 39 Y 165 | 40 G 166 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 167 | 42 W 175 | 43 I 176 | 44 C 177 | 45 M 178 | 46 E 179 | 47 L 180 | 48 M 181 | 49 S 182 | 50 _ _ | 51 T 183 | 52 S 184 | 53 F 185 | 54 D 186 | 55 K 187 | 56 F 188 | 57 Y 189 | 58 K 190 | 59 Y 191 | 60 L 219 |
| • | • | •• | • | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 K 220 | 62 E 221 | 63 N 222 | 64 L 223 | 65 K 224 | 66 I 225 | 67 I 226 | 68 H 227 | 69 R 228 | 70 D 229 | 71 I 230 | 72 K 231 | 73 P 232 | 74 S 233 | 75 N 234 | 76 I 235 | 77 L 236 | 78 L 237 | 79 L 245 | 80 C 246 |
| • | • | • | • | • | |||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 247 | 82 F 248 | 83 G 249 | 84 I 250 | 85 S 251 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
