PDB-code
| Kinase structure | |
| Kinase: | RPS6KA6 (RSK4) |
| Family: | RSK |
| Group: | AGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1530 |
| PDB: | 6G77 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2019-04-17 |
| PubMed: | 34261798 |
| Chain: | A |
| Orthosteric ligand: | ANP |
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| More entries for 6G77 | |||
| 6G77 | Chain: | B | |
| Structural information | |
| DFG conformation: | out-like |
| αC-helix conformation: | na |
| G-rich loop angle (distance): | 46.5° (13.8Å) |
| G-rich loop rotation: | 79° |
| Quality Score: | 5.2 |
| Resolution: | 2.5 Å |
| Missing Residues: | 6 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I6 | Ligand Yes | Protein Yes | |
| Allosteric Ligand | |||||||||||||||||||
| Allosteric ligand: | ANP | ||||||||||||||||||
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| Pocket alignment | |
| Uniprot sequence: | KVLGQGSFGKVFLYAMKVLRTKMERDILVEVNPFIVKLHYAYLILDFLRGGDVFTRLSKHLHQLGIVYRDLKPENILLLTDFGLS |
| Sequence structure: | KVLGQGSFGKVFLYAMKVL______DILVEVNPFIVKLHYAYLILDFLRGGDVFTRLSKHLHQLGIVYRDLKPENILLLTDFGLS |
| 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 77 | 2 V 78 | 3 L 79 | 4 G 80 | 5 Q 81 | 6 G 82 | 7 S 83 | 8 F 84 | 9 G 85 | 10 K 86 | 11 V 87 | 12 F 88 | 13 L 89 | 14 Y 102 | 15 A 103 | 16 M 104 | 17 K 105 | 18 V 106 | 19 L 107 | 20 _ _ |
| • | • | • | • | • | • | • | • | • | |||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 _ _ | 22 _ _ | 23 _ _ | 24 _ _ | 25 _ _ | 26 D 125 | 27 I 126 | 28 L 127 | 29 V 128 | 30 E 129 | 31 V 130 | 32 N 131 | 33 P 133 | 34 F 134 | 35 I 135 | 36 V 136 | 37 K 137 | 38 L 138 | 39 H 139 | 40 Y 140 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 141 | 42 Y 149 | 43 L 150 | 44 I 151 | 45 L 152 | 46 D 153 | 47 F 154 | 48 L 155 | 49 R 156 | 50 G 157 | 51 G 158 | 52 D 159 | 53 V 160 | 54 F 161 | 55 T 162 | 56 R 163 | 57 L 164 | 58 S 165 | 59 K 166 | 60 H 188 |
| • | • | •• | |||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 189 | 62 H 190 | 63 Q 191 | 64 L 192 | 65 G 193 | 66 I 194 | 67 V 195 | 68 Y 196 | 69 R 197 | 70 D 198 | 71 L 199 | 72 K 200 | 73 P 201 | 74 E 202 | 75 N 203 | 76 I 204 | 77 L 205 | 78 L 206 | 79 L 214 | 80 T 215 |
| • | •• | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 216 | 82 F 217 | 83 G 218 | 84 L 219 | 85 S 220 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
