PDB-code
| Kinase structure | |
| Kinase: | MAPK1 (Erk2) |
| Family: | MAPK |
| Group: | CMGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1495 |
| PDB: | 5BVD |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2015-09-09 |
| PubMed: | 26259804 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | 4VF |
 | |
| More entries for 5BVD | |||||
| 5BVD | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 53.5° (16.2Å) |
| G-rich loop rotation: | 74.6° |
| Quality Score: | 8 |
| Resolution: | 1.9 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-II | Cluster I2 I4 I5 | Ligand No No No | Protein Yes Yes Yes |
| Pocket alignment | |
| Uniprot sequence: | SYIGEGAYGMVCSVAIKKIRTLREIKILLRFRENIIGINDIYIVQDLME-TDLYKLLKTYIHSANVLHRDLKPSNLLLICDFGLA |
| Sequence structure: | SYIGEGAYGMVCSVAIKKIRTLREIKILLRFRENIIGINDIYIVQDLME_TDLYKLLKTYIHSANVLHRDLKPSNLLLICDFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL3608591 |
| Bioaffinities: | 1 record for 1 kinase |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | MAP kinase ERK2 | 9.8 | 9.8 | 9.8 | pIC50 | 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 27 | 2 Y 28 | 3 I 29 | 4 G 30 | 5 E 31 | 6 G 32 | 7 A 33 | 8 Y 34 | 9 G 35 | 10 M 36 | 11 V 37 | 12 C 38 | 13 S 39 | 14 V 49 | 15 A 50 | 16 I 51 | 17 K 52 | 18 K 53 | 19 I 54 | 20 R 65 |
| • | • | • | • | • | • | • | • | •• | • | ||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 T 66 | 22 L 67 | 23 R 68 | 24 E 69 | 25 I 70 | 26 K 71 | 27 I 72 | 28 L 73 | 29 L 74 | 30 R 75 | 31 F 76 | 32 R 77 | 33 E 79 | 34 N 80 | 35 I 81 | 36 I 82 | 37 G 83 | 38 I 84 | 39 N 85 | 40 D 86 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 I 87 | 42 Y 100 | 43 I 101 | 44 V 102 | 45 Q 103 | 46 D 104 | 47 L 105 | 48 M 106 | 49 E 107 | 50 _ _ | 51 T 108 | 52 D 109 | 53 L 110 | 54 Y 111 | 55 K 112 | 56 L 113 | 57 L 114 | 58 K 115 | 59 T 116 | 60 Y 137 |
| • | • | ••• | • | • | • | •• | |||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 I 138 | 62 H 139 | 63 S 140 | 64 A 141 | 65 N 142 | 66 V 143 | 67 L 144 | 68 H 145 | 69 R 146 | 70 D 147 | 71 L 148 | 72 K 149 | 73 P 150 | 74 S 151 | 75 N 152 | 76 L 153 | 77 L 154 | 78 L 155 | 79 I 163 | 80 C 164 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 165 | 82 F 166 | 83 G 167 | 84 L 168 | 85 A 169 | |||||||||||||||
| •• | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
