PDB-code
| Kinase structure | |
| Kinase: | Rps6ka3 (RSK2) |
| Family: | RSK |
| Group: | AGC |
| Species: | MOUSE |
| PDB: | 3UBD |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2012-09-05 |
| PubMed: | 22846040 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | SL0 |
 | |
| More entries for 3UBD | |||||
| 3UBD | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | out-like |
| αC-helix conformation: | na |
| G-rich loop angle (distance): | 76.2° (22.1Å) |
| G-rich loop rotation: | 57.9° |
| Quality Score: | 3.6 |
| Resolution: | 1.53 Å |
| Missing Residues: | 6 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | BP-I-A | |||
| Pocket alignment | |
| Uniprot sequence: | KVLGQGSFGKVFLYAMKVLRTKMERDILVEVNPFIVKLHYAYLILDFLRGGDLFTRLSKHLHSLGIIYRDLKPENILLLTDFGLS |
| Sequence structure: | KVLGQGSFGKVFLYAMKVL______DILVEVNPFIVKLHYAYLILDFLRGGDLFTRLSKHLHSLGIIYRDLKPENILLLTDFGLS |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL240954 |
| Bioaffinities: | 10 records for 1 kinase |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Ribosomal protein S6 kinase alpha 3 | 6.4 | 6 | 7.1 | pIC50 | 10 |
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 72 | 2 V 73 | 3 L 74 | 4 G 75 | 5 Q 76 | 6 G 77 | 7 S 78 | 8 F 79 | 9 G 80 | 10 K 81 | 11 V 82 | 12 F 83 | 13 L 84 | 14 Y 97 | 15 A 98 | 16 M 99 | 17 K 100 | 18 V 101 | 19 L 102 | 20 _ _ |
| •• | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 _ _ | 22 _ _ | 23 _ _ | 24 _ _ | 25 _ _ | 26 D 120 | 27 I 121 | 28 L 122 | 29 V 123 | 30 E 124 | 31 V 125 | 32 N 126 | 33 P 128 | 34 F 129 | 35 I 130 | 36 V 131 | 37 K 132 | 38 L 133 | 39 H 134 | 40 Y 135 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 136 | 42 Y 144 | 43 L 145 | 44 I 146 | 45 L 147 | 46 D 148 | 47 F 149 | 48 L 150 | 49 R 151 | 50 G 152 | 51 G 153 | 52 D 154 | 53 L 155 | 54 F 156 | 55 T 157 | 56 R 158 | 57 L 159 | 58 S 160 | 59 K 161 | 60 H 183 |
| • | • | •• | • | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 184 | 62 H 185 | 63 S 186 | 64 L 187 | 65 G 188 | 66 I 189 | 67 I 190 | 68 Y 191 | 69 R 192 | 70 D 193 | 71 L 194 | 72 K 195 | 73 P 196 | 74 E 197 | 75 N 198 | 76 I 199 | 77 L 200 | 78 L 201 | 79 L 209 | 80 T 210 |
| • | • | • | |||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 211 | 82 F 212 | 83 G 213 | 84 L 214 | 85 S 215 | |||||||||||||||
| • | • | ||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
