PDB-code
| Kinase structure | |
| Kinase: | PRKACA (PKACa) |
| Family: | PKA |
| Group: | AGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1476 |
| PDB: | 8X5L |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2023-12-27 |
| Chain: | A |
| Orthosteric ligand: | RKD |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 49.4° (15.5Å) |
| G-rich loop rotation: | 115° |
| Quality Score: | 7.6 |
| Resolution: | 2.75 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I1 | Ligand No | Protein Yes | |
| Pocket alignment | |
| Uniprot sequence: | KTLGTGSFGRVMLYAMKILHTLNEKRILQAVNPFLVKLEFSYMVMEYVPGGEMFSHLRRYLHSLDLIYRDLKPENLLIVTDFGFA |
| Sequence structure: | RTLGTGSFGRVMLYAMKILHTLNEKRIQQAVNPFLVKLEFSYMVLEYAPGGEMFSHLRRYLHSLDLIYRDLKPENLLIVADFGFA |
| Ligand affinity | |
| Ligand not found in ChEMBL. | |
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 48 | 2 T 49 | 3 L 50 | 4 G 51 | 5 T 52 | 6 G 53 | 7 S 54 | 8 F 55 | 9 G 56 | 10 R 57 | 11 V 58 | 12 M 59 | 13 L 60 | 14 Y 70 | 15 A 71 | 16 M 72 | 17 K 73 | 18 I 74 | 19 L 75 | 20 H 88 |
| • | • | • | • | • | • | • | • | • | • | • | |||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 T 89 | 22 L 90 | 23 N 91 | 24 E 92 | 25 K 93 | 26 R 94 | 27 I 95 | 28 Q 96 | 29 Q 97 | 30 A 98 | 31 V 99 | 32 N 100 | 33 P 102 | 34 F 103 | 35 L 104 | 36 V 105 | 37 K 106 | 38 L 107 | 39 E 108 | 40 F 109 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 S 110 | 42 Y 118 | 43 M 119 | 44 V 120 | 45 L 121 | 46 E 122 | 47 Y 123 | 48 A 124 | 49 P 125 | 50 G 126 | 51 G 127 | 52 E 128 | 53 M 129 | 54 F 130 | 55 S 131 | 56 H 132 | 57 L 133 | 58 R 134 | 59 R 135 | 60 Y 157 |
| • | • | •• | • | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 158 | 62 H 159 | 63 S 160 | 64 L 161 | 65 D 162 | 66 L 163 | 67 I 164 | 68 Y 165 | 69 R 166 | 70 D 167 | 71 L 168 | 72 K 169 | 73 P 170 | 74 E 171 | 75 N 172 | 76 L 173 | 77 L 174 | 78 I 175 | 79 V 183 | 80 A 184 |
| •• | • | • | • | ||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 185 | 82 F 186 | 83 G 187 | 84 F 188 | 85 A 189 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
