PDB-code
| Kinase structure | |
| Kinase: | RPS6KB1 (p70S6K) |
| Family: | RSK |
| Group: | AGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1525 |
| PDB: | 4RLP |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2015-01-21 |
| PubMed: | 25356520 |
| Chain: | A |
| Orthosteric ligand: | 72B |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | na |
| G-rich loop angle (distance): | 52.6° (16.5Å) |
| G-rich loop rotation: | 62.1° |
| Quality Score: | 6.1 |
| Resolution: | 2.79 Å |
| Missing Residues: | 5 |
| Missing Atoms: | 15 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | FP-II | |||
| Pocket alignment | |
| Uniprot sequence: | RVLGKGGYGKVFQFAMKVLHTKAERNILEEVKPFIVDLIYAYLILEYLSGGELFMQLERHLHQKGIIYRDLKPENIMLLTDFGLC |
| Sequence structure: | RVLGKGGYGKVFQFAMKVL_____RNILEEVKPFIVDLIYAYLILEYLSGGELFMQLERHLHQKGIIYRDLKPENIMLLTDFGLC |
| Ligand affinity | |
| Ligand not found in ChEMBL. | |
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 95 | 2 V 96 | 3 L 97 | 4 G 98 | 5 K 99 | 6 G 100 | 7 G 101 | 8 Y 102 | 9 G 103 | 10 K 104 | 11 V 105 | 12 F 106 | 13 Q 107 | 14 F 120 | 15 A 121 | 16 M 122 | 17 K 123 | 18 V 124 | 19 L 125 | 20 _ _ |
| • | • | •• | • | • | • | • | • | • | |||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 _ _ | 22 _ _ | 23 _ _ | 24 _ _ | 25 R 144 | 26 N 145 | 27 I 146 | 28 L 147 | 29 E 148 | 30 E 149 | 31 V 150 | 32 K 151 | 33 P 153 | 34 F 154 | 35 I 155 | 36 V 156 | 37 D 157 | 38 L 158 | 39 I 159 | 40 Y 160 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 161 | 42 Y 169 | 43 L 170 | 44 I 171 | 45 L 172 | 46 E 173 | 47 Y 174 | 48 L 175 | 49 S 176 | 50 G 177 | 51 G 178 | 52 E 179 | 53 L 180 | 54 F 181 | 55 M 182 | 56 Q 183 | 57 L 184 | 58 E 185 | 59 R 186 | 60 H 208 |
| • | • | • | •• | • | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 209 | 62 H 210 | 63 Q 211 | 64 K 212 | 65 G 213 | 66 I 214 | 67 I 215 | 68 Y 216 | 69 R 217 | 70 D 218 | 71 L 219 | 72 K 220 | 73 P 221 | 74 E 222 | 75 N 223 | 76 I 224 | 77 M 225 | 78 L 226 | 79 L 234 | 80 T 235 |
| • | • | • | • | ||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 236 | 82 F 237 | 83 G 238 | 84 L 239 | 85 C 240 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
