PDB-code
| Kinase structure | |
| Kinase: | DYRK1B |
| Family: | DYRK |
| Group: | CMGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2010 |
| PDB: | 8C2Z |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2024-01-17 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | QS0 |
 | |
| More entries for 8C2Z | |||||
| 8C2Z | Alternative model: | A | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 48.1° (14.9Å) |
| G-rich loop rotation: | 62.6° |
| Quality Score: | 8 |
| Resolution: | 1.91 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I2 I4 I5 | Ligand No No No | Protein Yes Yes Yes | |
| Pocket alignment | |
| Uniprot sequence: | SLIGKGSFGQVVKVAIKIIQAQIELRLLELMNYYIVHLKRHCLVFELLS-YNLYDLLRNATPELSIIHCDLKPENILLIVDFGSS |
| Sequence structure: | SLIGKGSFGQVVKVAIKIIQAQIELRLLELMNYYIVHLKRHCLVFELLS_YNLYDLLRNATPELSIIHCDLKPENILLIVDFGSS |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL3421968 |
| Bioaffinities: | 5 records for 4 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Cyclin-dependent kinase 2 | 5.4 | 5.4 | 5.4 | pIC50 | 1 |
| Homo sapiens | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 4.5 | 4.5 | 4.5 | pIC50 | 1 |
| Homo sapiens | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 7.4 | 7.4 | 8.5 | pIC50 | 2 |
| Homo sapiens | Insulin-like growth factor I receptor | 6.1 | 6.1 | 6.1 | 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 115 | 2 L 116 | 3 I 117 | 4 G 118 | 5 K 119 | 6 G 120 | 7 S 121 | 8 F 122 | 9 G 123 | 10 Q 124 | 11 V 125 | 12 V 126 | 13 K 127 | 14 V 137 | 15 A 138 | 16 I 139 | 17 K 140 | 18 I 141 | 19 I 142 | 20 Q 151 |
| • | • | • | •• | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 A 152 | 22 Q 153 | 23 I 154 | 24 E 155 | 25 L 156 | 26 R 157 | 27 L 158 | 28 L 159 | 29 E 160 | 30 L 161 | 31 M 162 | 32 N 163 | 33 Y 171 | 34 Y 172 | 35 I 173 | 36 V 174 | 37 H 175 | 38 L 176 | 39 K 177 | 40 R 178 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 H 179 | 42 C 187 | 43 L 188 | 44 V 189 | 45 F 190 | 46 E 191 | 47 L 192 | 48 L 193 | 49 S 194 | 50 _ _ | 51 Y 195 | 52 N 196 | 53 L 197 | 54 Y 198 | 55 D 199 | 56 L 200 | 57 L 201 | 58 R 202 | 59 N 203 | 60 A 229 |
| •• | • | • | ••• | • | • | • | ••• | • | |||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 T 230 | 62 P 231 | 63 E 232 | 64 L 233 | 65 S 234 | 66 I 235 | 67 I 236 | 68 H 237 | 69 C 238 | 70 D 239 | 71 L 240 | 72 K 241 | 73 P 242 | 74 E 243 | 75 N 244 | 76 I 245 | 77 L 246 | 78 L 247 | 79 I 257 | 80 V 258 |
| • | • | • | |||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 259 | 82 F 260 | 83 G 261 | 84 S 262 | 85 S 263 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
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