PDB-code
| Kinase structure | |
| Kinase: | DMPK (DMPK1) |
| Family: | DMPK |
| Group: | AGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1505 |
| PDB: | 2VD5 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2007-11-06 |
| PubMed: | 19309729 |
| Chain: | B |
| Orthosteric ligand: | BI8 |
 | |
| More entries for 2VD5 | |||
| 2VD5 | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 53.5° (16.6Å) |
| G-rich loop rotation: | 48.3° |
| Quality Score: | 8.4 |
| Resolution: | 2.8 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 16 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate | FP-I | Cluster I2 I5 | Ligand No No | Protein Yes Yes |
| Pocket alignment | |
| Uniprot sequence: | KVIGRGAFSEVAVYAMKIMCFREERDVLVNGDRWITQLHFAYLVMEYYVGGDLLTLLSKSVHRLGYVHRDIKPDNILLLADFGSC |
| Sequence structure: | KVIGRGAFSEVAVYAMKIMCFREERDVLVNGDRWITQLHFAYLVMEYYVGGDLLTLLSKSVHRLGYVHRDIKPDNILLLADFGSC |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL269264 |
| Bioaffinities: | 3 records for 2 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | CaM kinase II delta | 6.5 | 6.5 | 6.5 | pIC50 | 2 |
| Homo sapiens | Serine/threonine-protein kinase PIM1 | 7.9 | 7.9 | 7.9 | 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 K 75 | 2 V 76 | 3 I 77 | 4 G 78 | 5 R 79 | 6 G 80 | 7 A 81 | 8 F 82 | 9 S 83 | 10 E 84 | 11 V 85 | 12 A 86 | 13 V 87 | 14 Y 97 | 15 A 98 | 16 M 99 | 17 K 100 | 18 I 101 | 19 M 102 | 20 C 115 |
| • | • | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 116 | 22 R 117 | 23 E 118 | 24 E 119 | 25 R 120 | 26 D 121 | 27 V 122 | 28 L 123 | 29 V 124 | 30 N 125 | 31 G 126 | 32 D 127 | 33 R 129 | 34 W 130 | 35 I 131 | 36 T 132 | 37 Q 133 | 38 L 134 | 39 H 135 | 40 F 136 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 137 | 42 Y 145 | 43 L 146 | 44 V 147 | 45 M 148 | 46 E 149 | 47 Y 150 | 48 Y 151 | 49 V 152 | 50 G 153 | 51 G 154 | 52 D 155 | 53 L 156 | 54 L 157 | 55 T 158 | 56 L 159 | 57 L 160 | 58 S 161 | 59 K 162 | 60 S 185 |
| • | • | • | •• | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 V 186 | 62 H 187 | 63 R 188 | 64 L 189 | 65 G 190 | 66 Y 191 | 67 V 192 | 68 H 193 | 69 R 194 | 70 D 195 | 71 I 196 | 72 K 197 | 73 P 198 | 74 D 199 | 75 N 200 | 76 I 201 | 77 L 202 | 78 L 203 | 79 L 211 | 80 A 212 |
| • | • | • | |||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 213 | 82 F 214 | 83 G 215 | 84 S 216 | 85 C 217 | |||||||||||||||
| •• | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
