PDB-code
| Kinase structure | |
| Kinase: | SGK1 |
| Family: | SGK |
| Group: | AGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1534 |
| PDB: | 2R5T |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2008-09-09 |
| PubMed: | 17965184 |
| Chain: | A |
| Orthosteric ligand: | ANP |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | na |
| G-rich loop angle (distance): | 48.8° (14.5Å) |
| G-rich loop rotation: | 64.7° |
| Quality Score: | 6.2 |
| Resolution: | 1.9 Å |
| Missing Residues: | 7 |
| Missing Atoms: | 2 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I11 | Ligand Yes | Protein Yes | |
| Pocket alignment | |
| Uniprot sequence: | KVIGKGSFGKVLLYAVKVLHIMSERNVLLKNVPFLVGLHFSYFVLDYINGGELFYHLQRYLHSLNIVYRDLKPENILLLTDFGLC |
| Sequence structure: | KVIGKGSFGKVLLYAVKVL_______VLLKNVPFLVGLHFSYFVLDYINGGELFYHLQRYLHSLNIVYRDLKPENILLLTDFGLC |
| 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 102 | 2 V 103 | 3 I 104 | 4 G 105 | 5 K 106 | 6 G 107 | 7 S 108 | 8 F 109 | 9 G 110 | 10 K 111 | 11 V 112 | 12 L 113 | 13 L 114 | 14 Y 124 | 15 A 125 | 16 V 126 | 17 K 127 | 18 V 128 | 19 L 129 | 20 _ _ |
| • | • | • | • | • | •• | • | • | • | |||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 _ _ | 22 _ _ | 23 _ _ | 24 _ _ | 25 _ _ | 26 _ _ | 27 V 149 | 28 L 150 | 29 L 151 | 30 K 152 | 31 N 153 | 32 V 154 | 33 P 157 | 34 F 158 | 35 L 159 | 36 V 160 | 37 G 161 | 38 L 162 | 39 H 163 | 40 F 164 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 S 165 | 42 Y 173 | 43 F 174 | 44 V 175 | 45 L 176 | 46 D 177 | 47 Y 178 | 48 I 179 | 49 N 180 | 50 G 181 | 51 G 182 | 52 E 183 | 53 L 184 | 54 F 185 | 55 Y 186 | 56 H 187 | 57 L 188 | 58 Q 189 | 59 R 190 | 60 Y 212 |
| • | • | •• | |||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 213 | 62 H 214 | 63 S 215 | 64 L 216 | 65 N 217 | 66 I 218 | 67 V 219 | 68 Y 220 | 69 R 221 | 70 D 222 | 71 L 223 | 72 K 224 | 73 P 225 | 74 E 226 | 75 N 227 | 76 I 228 | 77 L 229 | 78 L 230 | 79 L 238 | 80 T 239 |
| • | • | • | • | •• | |||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 240 | 82 F 241 | 83 G 242 | 84 L 243 | 85 C 244 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
