PDB-code
| Kinase structure | |
| Kinase: | MAPK1 (Erk2) |
| Family: | MAPK |
| Group: | CMGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1495 |
| PDB: | 5AX3 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2016-02-10 |
| PubMed: | 26733474 |
| Chain: | A |
| Orthosteric ligand: | 5ID |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | - |
| G-rich loop rotation: | - |
| Quality Score: | 7.2 |
| Resolution: | 2.98 Å |
| Missing Residues: | 2 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | ||||
| Pocket alignment | |
| Uniprot sequence: | SYIGEGAYGMVCSVAIKKIRTLREIKILLRFRENIIGINDIYIVQDLME-TDLYKLLKTYIHSANVLHRDLKPSNLLLICDFGLA |
| Sequence structure: | SYIGE__YGMVCSVAIKKIRTLREIKILLRFRENIIGINDIYIVQDLME_TDLYKLLKTYIHSANVLHRDLKPSNLLLICDFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL99203 |
| Bioaffinities: | 2 records for 1 kinase |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | MAP kinase ERK2 | 5.9 | 5.9 | 5.9 | pIC50 | 1 |
| Homo sapiens | MAP kinase ERK2 | 6.3 | 6.3 | 6.3 | pKi | 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 S 20 | 2 Y 21 | 3 I 22 | 4 G 23 | 5 E 24 | 6 _ _ | 7 _ _ | 8 Y 27 | 9 G 28 | 10 M 29 | 11 V 30 | 12 C 31 | 13 S 32 | 14 V 42 | 15 A 43 | 16 I 44 | 17 K 45 | 18 K 46 | 19 I 47 | 20 R 58 |
| • | • | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 T 59 | 22 L 60 | 23 R 61 | 24 E 62 | 25 I 63 | 26 K 64 | 27 I 65 | 28 L 66 | 29 L 67 | 30 R 68 | 31 F 69 | 32 R 70 | 33 E 72 | 34 N 73 | 35 I 74 | 36 I 75 | 37 G 76 | 38 I 77 | 39 N 78 | 40 D 79 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 I 80 | 42 Y 93 | 43 I 94 | 44 V 95 | 45 Q 96 | 46 D 97 | 47 L 98 | 48 M 99 | 49 E 100 | 50 _ _ | 51 T 101 | 52 D 102 | 53 L 103 | 54 Y 104 | 55 K 105 | 56 L 106 | 57 L 107 | 58 K 108 | 59 T 109 | 60 Y 130 |
| • | • | • | •• | • | •• | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 I 131 | 62 H 132 | 63 S 133 | 64 A 134 | 65 N 135 | 66 V 136 | 67 L 137 | 68 H 138 | 69 R 139 | 70 D 140 | 71 L 141 | 72 K 142 | 73 P 143 | 74 S 144 | 75 N 145 | 76 L 146 | 77 L 147 | 78 L 148 | 79 I 156 | 80 C 157 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 158 | 82 F 159 | 83 G 160 | 84 L 161 | 85 A 162 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
