PDB-code
| More entries for 2WTV | |||||
| 2WTV | Alternative model: | A | Chain: | A | |
| 2WTV | Alternative model: | A | Chain: | C | |
| 2WTV | Alternative model: | A | Chain: | D | |
| 2WTV | Alternative model: | B | Chain: | A | |
| 2WTV | Alternative model: | B | Chain: | B | |
| 2WTV | Alternative model: | B | Chain: | C | |
| 2WTV | Alternative model: | B | Chain: | D | |
| Structural information | |
| DFG conformation: | out-like |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 69° (19.5Å) |
| G-rich loop rotation: | 69.1° |
| Quality Score: | 9 |
| Resolution: | 2.4 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 6 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I1 I5 O2 | Ligand Yes Yes No | Protein Yes Yes No | |
| Pocket alignment | |
| Uniprot sequence: | RPLGKGKFGNVYLLALKVLQLRREVEIQSHLRPNILRLYGYYLILEYAPLGTVYRELQKYCHSKRVIHRDIKPENLLLIADFGWS |
| Sequence structure: | RPLGKGKFGNVYLLALKVLQLRREVEIQSHLRPNILRLYGYYLILEYAPRGEVYKELQKYCHSKRVIHRDIKPENLLLIADFGWS |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL259084 |
| Bioaffinities: | 189 records for 71 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | 3-phosphoinositide dependent protein kinase-1 | 6.1 | 6.1 | 6.1 | pKi | 1 |
| Homo sapiens | Casein kinase II alpha | 4.7 | 4.7 | 4.7 | pIC50 | 1 |
| Homo sapiens | Casein kinase II alpha | 5.4 | 5.4 | 5.4 | pKi | 1 |
| Homo sapiens | Death-associated protein kinase 2 | 5 | 5 | 5 | pKd | 1 |
| Homo sapiens | Dual specificity protein kinase CLK2 | 5.5 | 5.5 | 5.5 | pKd | 2 |
| Homo sapiens | Dual specificity protein kinase CLK3 | 5.6 | 5.6 | 5.6 | pKd | 2 |
| Homo sapiens | Dual specificity protein kinase CLK4 | 5.6 | 5.6 | 5.6 | pKi | 1 |
| Homo sapiens | Ephrin type-A receptor 1 | 5.8 | 5.8 | 5.8 | pKd | 2 |
| Homo sapiens | Ephrin type-A receptor 2 | 6.4 | 6.4 | 6.4 | pKd | 2 |
| Homo sapiens | Ephrin type-A receptor 2 | 6.9 | 6.9 | 6.9 | pKi | 1 |
| Homo sapiens | Ephrin type-A receptor 3 | 5.7 | 5.7 | 5.7 | pKd | 2 |
| Homo sapiens | Ephrin type-A receptor 4 | 6.4 | 6.4 | 6.4 | pKd | 2 |
| Homo sapiens | Ephrin type-A receptor 5 | 5.9 | 5.9 | 5.9 | pKd | 2 |
| Homo sapiens | Ephrin type-A receptor 6 | 6.2 | 6.2 | 6.2 | pKd | 2 |
| Homo sapiens | Ephrin type-A receptor 7 | 6 | 6 | 6 | pKd | 2 |
| Homo sapiens | Ephrin type-B receptor 1 | 6.5 | 6.5 | 6.5 | pKd | 2 |
| Homo sapiens | Ephrin type-B receptor 3 | 5.5 | 5.5 | 5.5 | pKd | 2 |
| Homo sapiens | Ephrin type-B receptor 4 | 6.3 | 6.3 | 6.3 | pKd | 2 |
| Homo sapiens | Epidermal growth factor receptor erbB1 | 5.2 | 5.2 | 5.5 | pKd | 4 |
| Homo sapiens | Epidermal growth factor receptor erbB1 | 6.3 | 6.3 | 6.3 | pKi | 1 |
| Homo sapiens | Epithelial discoidin domain-containing receptor 1 | 5.4 | 5.4 | 5.4 | pKd | 2 |
| Homo sapiens | Fibroblast growth factor receptor 1 | 5.6 | 5.6 | 5.6 | pKd | 2 |
| Homo sapiens | Fibroblast growth factor receptor 1 | 6 | 6 | 6 | pKi | 1 |
| Homo sapiens | Fibroblast growth factor receptor 2 | 5.8 | 5.8 | 5.8 | pKd | 2 |
| Homo sapiens | Fibroblast growth factor receptor 3 | 5.9 | 5.9 | 5.9 | pKd | 4 |
| Homo sapiens | Fibroblast growth factor receptor 3 | 6.3 | 6.3 | 6.3 | pKi | 1 |
| Homo sapiens | Focal adhesion kinase 1 | 5.5 | 5.5 | 5.5 | pKi | 1 |
| Homo sapiens | G protein-coupled receptor kinase 5 | 6 | 6 | 6 | pKi | 1 |
| Homo sapiens | Interleukin-1 receptor-associated kinase 3 | 5.9 | 5.9 | 5.9 | pKd | 2 |
| Homo sapiens | MAP kinase-activated protein kinase 5 | 8.1 | 8.1 | 8.1 | pKd | 1 |
| Homo sapiens | MAP kinase signal-integrating kinase 2 | 7.9 | 7.9 | 7.9 | pIC50 | 1 |
| Homo sapiens | Maternal embryonic leucine zipper kinase | 6 | 6 | 6 | pKi | 1 |
| Homo sapiens | Non-receptor tyrosine-protein kinase TNK1 | 5.6 | 5.6 | 5.6 | pKd | 2 |
| Homo sapiens | NT-3 growth factor receptor | 5.6 | 5.6 | 5.6 | pKi | 1 |
| Homo sapiens | Platelet-derived growth factor receptor alpha | 6.1 | 6.1 | 6.1 | pIC50 | 1 |
| Homo sapiens | Protein tyrosine kinase 2 beta | 5.7 | 5.7 | 5.7 | pKd | 2 |
| Homo sapiens | Proto-oncogene tyrosine-protein kinase MER | 6.1 | 6.1 | 6.1 | pKd | 2 |
| Homo sapiens | Proto-oncogene tyrosine-protein kinase ROS | 5.5 | 5.5 | 5.5 | pKd | 2 |
| Homo sapiens | Proto-oncogene tyrosine-protein kinase ROS | 6.1 | 6.1 | 6.1 | pKi | 1 |
| Homo sapiens | Ribosomal protein S6 kinase alpha 1 | 5.3 | 5.3 | 5.3 | pKd | 2 |
| Homo sapiens | Serine/threonine-protein kinase 10 | 5.4 | 5.4 | 5.4 | pKd | 2 |
| Mus musculus | Serine/threonine-protein kinase 12 | 6.8 | 6.8 | 6.8 | pIC50 | 3 |
| Homo sapiens | Serine/threonine-protein kinase 17A | 6.7 | 6.7 | 6.7 | pKd | 2 |
| Homo sapiens | Serine/threonine-protein kinase 17B | 8.1 | 8.1 | 8.1 | pKd | 2 |
| Homo sapiens | Serine/threonine-protein kinase Aurora-A | 7.5 | 6.5 | 9 | pIC50 | 10 |
| Homo sapiens | Serine/threonine-protein kinase Aurora-A | 8.7 | 8.2 | 9.5 | pKd | 7 |
| Mus musculus | Serine/threonine-protein kinase Aurora-A | 8.4 | 7.5 | 8.4 | pIC50 | 4 |
| Mus musculus | Serine/threonine-protein kinase Aurora-A | 8.2 | 8.2 | 8.2 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase Aurora-B | 5.4 | 5.2 | 8 | pIC50 | 7 |
| Homo sapiens | Serine/threonine-protein kinase Aurora-B | 7.4 | 7.4 | 7.4 | pKd | 2 |
| Homo sapiens | Serine/threonine-protein kinase Aurora-C | 7.6 | 7.6 | 7.6 | pKd | 2 |
| Homo sapiens | Serine/threonine-protein kinase Chk2 | 4.6 | 4.6 | 4.6 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase Chk2 | 5.7 | 5.7 | 5.7 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase PAK 1 | 5 | 5 | 5 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase PLK1 | 4.3 | 4.3 | 4.3 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase PLK3 | 5.2 | 5.2 | 5.2 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase PLK4 | 6.4 | 6.4 | 6.4 | pKd | 2 |
| Homo sapiens | Serine/threonine-protein kinase SIK1 | 5.8 | 5.8 | 5.8 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase ABL | 6.1 | 5.4 | 6.4 | pKd | 18 |
| Homo sapiens | Tyrosine-protein kinase ABL | 6.8 | 6.8 | 6.8 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase ABL2 | 5.5 | 5.5 | 5.5 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase BLK | 7.2 | 7.2 | 7.2 | pKd | 3 |
| Homo sapiens | Tyrosine-protein kinase BLK | 7.1 | 7.1 | 7.1 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase BMX | 5.5 | 5.5 | 5.5 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase BTK | 5.4 | 5.4 | 5.4 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase BTK | 5.6 | 5.6 | 5.6 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase CSK | 5.1 | 5.1 | 5.1 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase FER | 5.4 | 5.4 | 5.4 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase FGR | 6.7 | 6.7 | 6.7 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase FYN | 5.9 | 5.9 | 5.9 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase HCK | 5.8 | 5.8 | 5.8 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase HCK | 6.2 | 6.2 | 6.2 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase LCK | 5.5 | 5.5 | 5.5 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase LCK | 6.2 | 6.2 | 6.2 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase LCK | 5.7 | 5.7 | 5.7 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase Lyn | 5.9 | 5.9 | 5.9 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase Lyn | 6.6 | 6.6 | 6.6 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor FLT3 | 5 | 5 | 5 | pKd | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor Tie-1 | 5.8 | 5.8 | 5.8 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase receptor TYRO3 | 5.5 | 5.5 | 5.5 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase receptor TYRO3 | 6.9 | 6.9 | 6.9 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor UFO | 6.4 | 6.4 | 6.4 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase SRC | 6.1 | 6.1 | 6.1 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase SRC | 5.8 | 5.8 | 5.8 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase TEC | 6.1 | 6.1 | 6.1 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase TIE-2 | 6.5 | 6.5 | 6.5 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase YES | 6.6 | 6.6 | 6.6 | pKd | 2 |
| Homo sapiens | Vascular endothelial growth factor receptor 1 | 6 | 6 | 6 | pKd | 2 |
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 6.1 | 6.1 | 6.1 | pKi | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 3 | 5.5 | 5.5 | 5.5 | pKd | 2 |
| Homo sapiens | Vascular endothelial growth factor receptor 3 | 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 R 137 | 2 P 138 | 3 L 139 | 4 G 140 | 5 K 141 | 6 G 142 | 7 K 143 | 8 F 144 | 9 G 145 | 10 N 146 | 11 V 147 | 12 Y 148 | 13 L 149 | 14 L 159 | 15 A 160 | 16 L 161 | 17 K 162 | 18 V 163 | 19 L 164 | 20 Q 177 |
| • | • | • | • | • | • | • | |||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 178 | 22 R 179 | 23 R 180 | 24 E 181 | 25 V 182 | 26 E 183 | 27 I 184 | 28 Q 185 | 29 S 186 | 30 H 187 | 31 L 188 | 32 R 189 | 33 P 191 | 34 N 192 | 35 I 193 | 36 L 194 | 37 R 195 | 38 L 196 | 39 Y 197 | 40 G 198 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 Y 199 | 42 Y 207 | 43 L 208 | 44 I 209 | 45 L 210 | 46 E 211 | 47 Y 212 | 48 A 213 | 49 P 214 | 50 R 215 | 51 G 216 | 52 E 217 | 53 V 218 | 54 Y 219 | 55 K 220 | 56 E 221 | 57 L 222 | 58 Q 223 | 59 K 224 | 60 Y 246 |
| • | • | •• | ••• | • | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 C 247 | 62 H 248 | 63 S 249 | 64 K 250 | 65 R 251 | 66 V 252 | 67 I 253 | 68 H 254 | 69 R 255 | 70 D 256 | 71 I 257 | 72 K 258 | 73 P 259 | 74 E 260 | 75 N 261 | 76 L 262 | 77 L 263 | 78 L 264 | 79 I 272 | 80 A 273 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 274 | 82 F 275 | 83 G 276 | 84 W 277 | 85 S 278 | |||||||||||||||
| • | • | • | |||||||||||||||||
Interaction pattern search
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