PDB-code
| Kinase structure | |
| Kinase: | TRRAP |
| Family: | PIKK |
| Group: | Atypical |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2256 |
| PDB: | 8XVG |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2024-07-24 |
| PubMed: | 39154037 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | ADP |
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| More entries for 8XVG | |||||
| 8XVG | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | out-like |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | 83.9° (44.9Å) |
| G-rich loop rotation: | 28.4° |
| Quality Score: | 3.2 |
| Resolution: | 9.4 Å |
| Missing Residues: | 2 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| BP-IV | ||||
| Pocket alignment | |
| Uniprot sequence: | VQKHNTAARRLYIYLVMNDESRREERVLQLLRFFTVPRVVAMRLVEDNPVEIYKQRCAKAEFV--LHLNRLNPEMLQITIGVSGP |
| Sequence structure: | KTEVLMENFRRAIEVYEGELTPCEISHVIGLKGTKQLKLDPESLQKERVIYIEAN_SGAAEEYVPLP_KGDVHKKKEIHDLDVAN |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL14830 |
| Bioaffinities: | 2 records for 1 kinase |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 7 | 4.2 | 4.2 | 5.4 | pKd | 2 |
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 108 | 2 T 109 | 3 E 110 | 4 V 111 | 5 L 112 | 6 M 113 | 7 E 114 | 8 N 115 | 9 F 116 | 10 R 117 | 11 R 118 | 12 A 119 | 13 I 120 | 14 E 129 | 15 V 130 | 16 Y 131 | 17 E 132 | 18 G 133 | 19 E 134 | 20 L 138 |
| αC | b.l | IV | |||||||||||||||||
| 21 T 139 | 22 P 140 | 23 C 141 | 24 E 142 | 25 I 154 | 26 S 155 | 27 H 156 | 28 V 157 | 29 I 159 | 30 G 160 | 31 L 161 | 32 K 162 | 33 G 166 | 34 T 167 | 35 K 168 | 36 Q 169 | 37 L 170 | 38 K 171 | 39 L 172 | 40 D 173 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 P 174 | 42 E 178 | 43 S 179 | 44 L 180 | 45 Q 181 | 46 K 182 | 47 E 183 | 48 R 184 | 49 V 185 | 50 I 191 | 51 Y 192 | 52 I 193 | 53 E 194 | 54 A 195 | 55 N 196 | 56 _ _ | 57 S 197 | 58 G 198 | 59 A 199 | 60 A 217 |
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 E 218 | 62 E 219 | 63 Y 220 | 64 V 221 | 65 P 222 | 66 L 223 | 67 P 224 | 68 _ _ | 69 K 225 | 70 G 226 | 71 D 227 | 72 V 228 | 73 H 229 | 74 K 230 | 75 K 231 | 76 K 232 | 77 E 233 | 78 I 234 | 79 H 241 | 80 D 242 |
| DFG | a.l | ||||||||||||||||||
| 81 L 243 | 82 D 244 | 83 V 245 | 84 A 246 | 85 N 247 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
