PDB-code
| Kinase structure | |
| Kinase: | MTOR (FRAP) |
| Family: | PIKK |
| Group: | Atypical |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2109 |
| PDB: | 3JBZ |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2016-11-16 |
| PubMed: | 27097373 |
| Chain: | A |
| Orthosteric ligand: | ADP |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 62.2° (18.6Å) |
| G-rich loop rotation: | 66.2° |
| Quality Score: | 8 |
| Resolution: | NMR |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | FP-II | |||
| Pocket alignment | |
| Uniprot sequence: | LQVITSKQRPRKLFLLKGHDLRQDERVMQLFGLSIQRYAVISGLIGWVPCDTLHALIRDVGYI--LGLGDRHPSNLMLHIDFGDC |
| Sequence structure: | LQVITSKQRPRKLFLLKGHDLRQDERVMQLFGLSIQRYAVISGLIGWVPCDTLHALIRDVGYI__LGLGDRHPSNLMLHIDFGDC |
| 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 L 2160 | 2 Q 2161 | 3 V 2162 | 4 I 2163 | 5 T 2164 | 6 S 2165 | 7 K 2166 | 8 Q 2167 | 9 R 2168 | 10 P 2169 | 11 R 2170 | 12 K 2171 | 13 L 2172 | 14 F 2184 | 15 L 2185 | 16 L 2186 | 17 K 2187 | 18 G 2188 | 19 H 2189 | 20 D 2191 |
| • | • | •• | |||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 2192 | 22 R 2193 | 23 Q 2194 | 24 D 2195 | 25 E 2196 | 26 R 2197 | 27 V 2198 | 28 M 2199 | 29 Q 2200 | 30 L 2201 | 31 F 2202 | 32 G 2203 | 33 L 2220 | 34 S 2221 | 35 I 2222 | 36 Q 2223 | 37 R 2224 | 38 Y 2225 | 39 A 2226 | 40 V 2227 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 I 2228 | 42 S 2234 | 43 G 2235 | 44 L 2236 | 45 I 2237 | 46 G 2238 | 47 W 2239 | 48 V 2240 | 49 P 2241 | 50 C 2243 | 51 D 2244 | 52 T 2245 | 53 L 2246 | 54 H 2247 | 55 A 2248 | 56 L 2249 | 57 I 2250 | 58 R 2251 | 59 D 2252 | 60 V 2330 |
| • | •• | •• | • | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 G 2331 | 62 Y 2332 | 63 I 2333 | 64 _ _ | 65 _ _ | 66 L 2334 | 67 G 2335 | 68 L 2336 | 69 G 2337 | 70 D 2338 | 71 R 2339 | 72 H 2340 | 73 P 2341 | 74 S 2342 | 75 N 2343 | 76 L 2344 | 77 M 2345 | 78 L 2346 | 79 H 2355 | 80 I 2356 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 2357 | 82 F 2358 | 83 G 2359 | 84 D 2360 | 85 C 2361 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
