PDB-code
| Kinase structure | |
| Kinase: | MAPK7 (Erk5) |
| Family: | MAPK |
| Group: | CMGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2093 |
| PDB: | 5BYY |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2016-05-04 |
| PubMed: | 27139631 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | 4WG |
 | |
| More entries for 5BYY | |||||
| 5BYY | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 55.5° (16.2Å) |
| G-rich loop rotation: | 50.2° |
| Quality Score: | 8 |
| Resolution: | 2.79 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-I | Cluster I5 | Ligand Yes | Protein Yes |
| Pocket alignment | |
| Uniprot sequence: | ETIGNGAYGVVSSVAIKKIRTLRELKILKHFKDNIIAIKDIYVVLDLME-SDLHQIIHSYMHSAQVIHRDLKPSNLLVIGDFGMA |
| Sequence structure: | ETIGNGAYGVVSSVAIKKIRTLRELKILKHFKDNIIAIKDIYVVLDLME_SDLHQIIHSYMHSAQVIHRDLKPSNLLVIGDFGMA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL1673046 |
| Bioaffinities: | 2 records for 1 kinase |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Mitogen-activated protein kinase 7 | 6.6 | 6.6 | 6.6 | pIC50 | 1 |
| Homo sapiens | Mitogen-activated protein kinase 7 | 7.1 | 7.1 | 7.1 | pKd | 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 E 59 | 2 T 60 | 3 I 61 | 4 G 62 | 5 N 63 | 6 G 64 | 7 A 65 | 8 Y 66 | 9 G 67 | 10 V 68 | 11 V 69 | 12 S 70 | 13 S 71 | 14 V 81 | 15 A 82 | 16 I 83 | 17 K 84 | 18 K 85 | 19 I 86 | 20 R 98 |
| • | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 T 99 | 22 L 100 | 23 R 101 | 24 E 102 | 25 L 103 | 26 K 104 | 27 I 105 | 28 L 106 | 29 K 107 | 30 H 108 | 31 F 109 | 32 K 110 | 33 D 112 | 34 N 113 | 35 I 114 | 36 I 115 | 37 A 116 | 38 I 117 | 39 K 118 | 40 D 119 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 I 120 | 42 Y 134 | 43 V 135 | 44 V 136 | 45 L 137 | 46 D 138 | 47 L 139 | 48 M 140 | 49 E 141 | 50 _ _ | 51 S 142 | 52 D 143 | 53 L 144 | 54 H 145 | 55 Q 146 | 56 I 147 | 57 I 148 | 58 H 149 | 59 S 150 | 60 Y 172 |
| • | • | ••• | • | • | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 M 173 | 62 H 174 | 63 S 175 | 64 A 176 | 65 Q 177 | 66 V 178 | 67 I 179 | 68 H 180 | 69 R 181 | 70 D 182 | 71 L 183 | 72 K 184 | 73 P 185 | 74 S 186 | 75 N 187 | 76 L 188 | 77 L 189 | 78 V 190 | 79 I 198 | 80 G 199 |
| • | • | • | • | ||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 200 | 82 F 201 | 83 G 202 | 84 M 203 | 85 A 204 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
