PDB-code
| Kinase structure | |
| Kinase: | MAP2K1 |
| Family: | STE7 |
| Group: | STE |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2062 |
| PDB: | 3WIG |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2014-06-04 |
| PubMed: | 24746704 |
| Chain: | A |
| Orthosteric ligand: | ANP |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | - |
| G-rich loop rotation: | - |
| Quality Score: | 6.8 |
| Resolution: | 2.7 Å |
| Missing Residues: | 3 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front gate back | BP-I-A BP-I-B BP-II-in BP-II-A-in | |||
| Pocket alignment | |
| Uniprot sequence: | SELGAGNGGVVFKMARKLIQIIRELQVLHECNPYIVGFYGASICMEHMDGGSLDQVLKKLREKHKIMHRDVKPSNILVLCDFGVS |
| Sequence structure: | SELGAG___VVFKMARKLIQIIRELQVLHECNPYIVGFYGASICMEHMDGGSLDQVLKKLREKHKIMHRDVKPSNILVLCDFGVS |
| 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 S 73 | 2 E 74 | 3 L 75 | 4 G 76 | 5 A 77 | 6 G 78 | 7 _ _ | 8 _ _ | 9 _ _ | 10 V 82 | 11 V 83 | 12 F 84 | 13 K 85 | 14 M 95 | 15 A 96 | 16 R 97 | 17 K 98 | 18 L 99 | 19 I 100 | 20 Q 111 |
| • | • | • | • | • | •• | • | |||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 I 112 | 22 I 113 | 23 R 114 | 24 E 115 | 25 L 116 | 26 Q 117 | 27 V 118 | 28 L 119 | 29 H 120 | 30 E 121 | 31 C 122 | 32 N 123 | 33 P 125 | 34 Y 126 | 35 I 127 | 36 V 128 | 37 G 129 | 38 F 130 | 39 Y 131 | 40 G 132 |
| • | • | • | • | • | •• | ||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 133 | 42 S 141 | 43 I 142 | 44 C 143 | 45 M 144 | 46 E 145 | 47 H 146 | 48 M 147 | 49 D 148 | 50 G 149 | 51 G 150 | 52 S 151 | 53 L 152 | 54 D 153 | 55 Q 154 | 56 V 155 | 57 L 156 | 58 K 157 | 59 K 158 | 60 L 181 |
| • | • | • | •• | •• | •• | • | |||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 R 182 | 62 E 183 | 63 K 184 | 64 H 185 | 65 K 186 | 66 I 187 | 67 M 188 | 68 H 189 | 69 R 190 | 70 D 191 | 71 V 192 | 72 K 193 | 73 P 194 | 74 S 195 | 75 N 196 | 76 I 197 | 77 L 198 | 78 V 199 | 79 L 207 | 80 C 208 |
| •• | • | • | • | • | • | ||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 209 | 82 F 210 | 83 G 211 | 84 V 212 | 85 S 213 | |||||||||||||||
| •• | •• | • | •• | • | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
