PDB-code
| Kinase structure | |
| Kinase: | MAPKAPK2 |
| Family: | MAPKAPK |
| Group: | CAMK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2094 |
| PDB: | 3A2C |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2010-05-12 |
| PubMed: | 20057052 |
| Chain: | F |
| Orthosteric ligand: | PDY |
 | |
| More entries for 3A2C | |||
| 3A2C | Chain: | A | |
| 3A2C | Chain: | B | |
| 3A2C | Chain: | C | |
| 3A2C | Chain: | D | |
| 3A2C | Chain: | E | |
| 3A2C | Chain: | G | |
| 3A2C | Chain: | H | |
| 3A2C | Chain: | I | |
| 3A2C | Chain: | J | |
| 3A2C | Chain: | K | |
| 3A2C | Chain: | L | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 67.4° (19.5Å) |
| G-rich loop rotation: | 96.4° |
| Quality Score: | 8 |
| Resolution: | 2.9 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | ||||
| Allosteric Ligand | |||||||||||||||||||
| Allosteric ligand: | PDY | ||||||||||||||||||
 | |||||||||||||||||||
| Pocket alignment | |
| Uniprot sequence: | QVLGLGINGKVLQFALKMLKARREVELHWRASPHIVRIVDVLIVMECLDGGELFSRIQDYLHSINIAHRDVKPENLLYLTDFGFA |
| Sequence structure: | QVLGLGINGKVLQFALKMLKARREVELHWRASPHIVRIVDVLIVMECLDGGELFSRIQDYLHSINIAHRDVKPENLLYLTDFGFA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL1235213 |
| Bioaffinities: | 6 records for 4 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Cyclin-dependent kinase 2 | 4.6 | 4.6 | 4.6 | pIC50 | 1 |
| Homo sapiens | MAP kinase-activated protein kinase 2 | 5.1 | 5 | 6.9 | pIC50 | 3 |
| Mus musculus | MAP kinase-activated protein kinase 2 | 5.3 | 5.3 | 5.3 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase Chk2 | 5.8 | 5.8 | 5.8 | 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 Q 68 | 2 V 69 | 3 L 70 | 4 G 71 | 5 L 72 | 6 G 73 | 7 I 74 | 8 N 75 | 9 G 76 | 10 K 77 | 11 V 78 | 12 L 79 | 13 Q 80 | 14 F 90 | 15 A 91 | 16 L 92 | 17 K 93 | 18 M 94 | 19 L 95 | 20 K 100 |
| • | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 A 101 | 22 R 102 | 23 R 103 | 24 E 104 | 25 V 105 | 26 E 106 | 27 L 107 | 28 H 108 | 29 W 109 | 30 R 110 | 31 A 111 | 32 S 112 | 33 P 115 | 34 H 116 | 35 I 117 | 36 V 118 | 37 R 119 | 38 I 120 | 39 V 121 | 40 D 122 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 123 | 42 L 135 | 43 I 136 | 44 V 137 | 45 M 138 | 46 E 139 | 47 C 140 | 48 L 141 | 49 D 142 | 50 G 143 | 51 G 144 | 52 E 145 | 53 L 146 | 54 F 147 | 55 S 148 | 56 R 149 | 57 I 150 | 58 Q 151 | 59 D 152 | 60 Y 176 |
| • | • | • | ••• | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 177 | 62 H 178 | 63 S 179 | 64 I 180 | 65 N 181 | 66 I 182 | 67 A 183 | 68 H 184 | 69 R 185 | 70 D 186 | 71 V 187 | 72 K 188 | 73 P 189 | 74 E 190 | 75 N 191 | 76 L 192 | 77 L 193 | 78 Y 194 | 79 L 205 | 80 T 206 |
| •• | • | • | • | ||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 207 | 82 F 208 | 83 G 209 | 84 F 210 | 85 A 211 | |||||||||||||||
| ••• | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
