PDB-code
| Kinase structure | |
| Kinase: | RPS6KA2 (RSK1) |
| Family: | RSK |
| Group: | AGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1529 |
| PDB: | 8XOV |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2024-03-06 |
| Chain: | A |
| Orthosteric ligand: | ANP |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | 48.9° (15Å) |
| G-rich loop rotation: | 38° |
| Quality Score: | 6.8 |
| Resolution: | 2.55 Å |
| Missing Residues: | 3 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I5 | Ligand No | Protein Yes | |
| Pocket alignment | |
| Uniprot sequence: | KVLGQGSYGKVFLYAMKVLRSKMERDILAEVNPFIVKLHYAYLILDFLRGGDLFTRLSKHLHSLGIIYRDLKPENILLITDFGLS |
| Sequence structure: | KVLGQGSFGKVFLYAMKVL___MERDILADVNPFVVKLHYAYLILDFLRGGDLFTRLSKHLHSLGIIYRDLKPENILLLTDFGLS |
| 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 K 66 | 2 V 67 | 3 L 68 | 4 G 69 | 5 Q 70 | 6 G 71 | 7 S 72 | 8 F 73 | 9 G 74 | 10 K 75 | 11 V 76 | 12 F 77 | 13 L 78 | 14 Y 91 | 15 A 92 | 16 M 93 | 17 K 94 | 18 V 95 | 19 L 96 | 20 _ _ |
| • | • | • | • | • | • | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 _ _ | 22 _ _ | 23 M 111 | 24 E 112 | 25 R 113 | 26 D 114 | 27 I 115 | 28 L 116 | 29 A 117 | 30 D 118 | 31 V 119 | 32 N 120 | 33 P 122 | 34 F 123 | 35 V 124 | 36 V 125 | 37 K 126 | 38 L 127 | 39 H 128 | 40 Y 129 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 130 | 42 Y 138 | 43 L 139 | 44 I 140 | 45 L 141 | 46 D 142 | 47 F 143 | 48 L 144 | 49 R 145 | 50 G 146 | 51 G 147 | 52 D 148 | 53 L 149 | 54 F 150 | 55 T 151 | 56 R 152 | 57 L 153 | 58 S 154 | 59 K 155 | 60 H 177 |
| • | • | •• | |||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 178 | 62 H 179 | 63 S 180 | 64 L 181 | 65 G 182 | 66 I 183 | 67 I 184 | 68 Y 185 | 69 R 186 | 70 D 187 | 71 L 188 | 72 K 189 | 73 P 190 | 74 E 191 | 75 N 192 | 76 I 193 | 77 L 194 | 78 L 195 | 79 L 203 | 80 T 204 |
| • | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 205 | 82 F 206 | 83 G 207 | 84 L 208 | 85 S 209 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
