PDB-code
| Kinase structure | |
| Kinase: | SMG1 |
| Family: | PIKK |
| Group: | Atypical |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2201 |
| PDB: | 7PW8 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2021-12-01 |
| PubMed: | 34698635 |
| Chain: | A |
| Orthosteric ligand: | ANP |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 85.3° (21.8Å) |
| G-rich loop rotation: | 84.1° |
| Quality Score: | 6.8 |
| Resolution: | 2.82 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | FP-II | |||
| Allosteric Ligand | |||||||||||||||||||
| Allosteric ligand: | IHP | ||||||||||||||||||
 | |||||||||||||||||||
| Pocket alignment | |
| Uniprot sequence: | LPTKTKPKKLLFLYLFKGLDLHLDERIMQFLSFHARHYSVTSGLIQWVDATPLFGLYKRVGYI--IGLGDRHLDNVLIHIDYNVC |
| Sequence structure: | LPTKTKPKKLLFLYLFKGLDLHLDERIMQFLSFHARHYSVTSGLIQWVDATPLFGLYKRVGYI__IGLGDRHLDNVLIHIDYNVC |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL1230989 |
| Bioaffinities: | No (p)Ki/(p)IC50/(p)EC50 values for kinases found (confidence ≥ 8). |
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 L 2131 | 2 P 2132 | 3 T 2133 | 4 K 2134 | 5 T 2135 | 6 K 2136 | 7 P 2137 | 8 K 2138 | 9 K 2139 | 10 L 2140 | 11 L 2141 | 12 F 2142 | 13 L 2143 | 14 Y 2152 | 15 L 2153 | 16 F 2154 | 17 K 2155 | 18 G 2156 | 19 L 2157 | 20 D 2159 |
| • | • | ||||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 2160 | 22 H 2161 | 23 L 2162 | 24 D 2163 | 25 E 2164 | 26 R 2165 | 27 I 2166 | 28 M 2167 | 29 Q 2168 | 30 F 2169 | 31 L 2170 | 32 S 2171 | 33 F 2188 | 34 H 2189 | 35 A 2190 | 36 R 2191 | 37 H 2192 | 38 Y 2193 | 39 S 2194 | 40 V 2195 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 T 2196 | 42 S 2202 | 43 G 2203 | 44 L 2204 | 45 I 2205 | 46 Q 2206 | 47 W 2207 | 48 V 2208 | 49 D 2209 | 50 A 2211 | 51 T 2212 | 52 P 2213 | 53 L 2214 | 54 F 2215 | 55 G 2216 | 56 L 2217 | 57 Y 2218 | 58 K 2219 | 59 R 2220 | 60 V 2327 |
| •• | •• | ||||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 G 2328 | 62 Y 2329 | 63 I 2330 | 64 _ _ | 65 _ _ | 66 I 2331 | 67 G 2332 | 68 L 2333 | 69 G 2334 | 70 D 2335 | 71 R 2336 | 72 H 2337 | 73 L 2338 | 74 D 2339 | 75 N 2340 | 76 V 2341 | 77 L 2342 | 78 I 2343 | 79 H 2352 | 80 I 2353 |
| • | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 2354 | 82 Y 2355 | 83 N 2356 | 84 V 2357 | 85 C 2358 | |||||||||||||||
| •• | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
