PDB-code
| Kinase structure | |
| Kinase: | RPS6KB1 (p70S6K) |
| Family: | RSK |
| Group: | AGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1525 |
| PDB: | 4L3J |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2013-07-24 |
| PubMed: | 23731517 |
| Chain: | A |
| Orthosteric ligand: | 5FI |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 62.1° (19.9Å) |
| G-rich loop rotation: | 58.7° |
| Quality Score: | 8 |
| Resolution: | 2.1 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-II | Cluster I3 I4 I5 I7 I10 | Ligand Yes No No Yes No | Protein Yes Yes Yes No Yes |
| Pocket alignment | |
| Uniprot sequence: | RVLGKGGYGKVFQFAMKVLHTKAERNILEEVKPFIVDLIYAYLILEYLSGGELFMQLERHLHQKGIIYRDLKPENIMLLTDFGLC |
| Sequence structure: | RVLGKGGYGKVFQFAMKVLHTKAERNILEEVKPFIVDLIYAYLILEYLSGGELFMQLERHLHQKGIIYRDLKPENIMLLTDFGLC |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL2134202 |
| 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 R 72 | 2 V 73 | 3 L 74 | 4 G 75 | 5 K 76 | 6 G 77 | 7 G 78 | 8 Y 79 | 9 G 80 | 10 K 81 | 11 V 82 | 12 F 83 | 13 Q 84 | 14 F 97 | 15 A 98 | 16 M 99 | 17 K 100 | 18 V 101 | 19 L 102 | 20 H 116 |
| • | • | • | • | • | • | • | • | • | • | • | |||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 T 117 | 22 K 118 | 23 A 119 | 24 E 120 | 25 R 121 | 26 N 122 | 27 I 123 | 28 L 124 | 29 E 125 | 30 E 126 | 31 V 127 | 32 K 128 | 33 P 130 | 34 F 131 | 35 I 132 | 36 V 133 | 37 D 134 | 38 L 135 | 39 I 136 | 40 Y 137 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 138 | 42 Y 146 | 43 L 147 | 44 I 148 | 45 L 149 | 46 E 150 | 47 Y 151 | 48 L 152 | 49 S 153 | 50 G 154 | 51 G 155 | 52 E 156 | 53 L 157 | 54 F 158 | 55 M 159 | 56 Q 160 | 57 L 161 | 58 E 162 | 59 R 163 | 60 H 185 |
| • | •• | •• | |||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 186 | 62 H 187 | 63 Q 188 | 64 K 189 | 65 G 190 | 66 I 191 | 67 I 192 | 68 Y 193 | 69 R 194 | 70 D 195 | 71 L 196 | 72 K 197 | 73 P 198 | 74 E 199 | 75 N 200 | 76 I 201 | 77 M 202 | 78 L 203 | 79 L 211 | 80 T 212 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 213 | 82 F 214 | 83 G 215 | 84 L 216 | 85 C 217 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
