PDB-code
| Kinase structure | |
| Kinase: | PRKACA (PKACa) |
| Family: | PKA |
| Group: | AGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1476 |
| PDB: | 5N23 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2018-03-14 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | 35R |
 | |
| More entries for 5N23 | |||||
| 5N23 | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 59.5° (17.5Å) |
| G-rich loop rotation: | 86.4° |
| Quality Score: | 8 |
| Resolution: | 2.09 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I4 | Ligand No | Protein Yes | |
| Pocket alignment | |
| Uniprot sequence: | KTLGTGSFGRVMLYAMKILHTLNEKRILQAVNPFLVKLEFSYMVMEYVPGGEMFSHLRRYLHSLDLIYRDLKPENLLIVTDFGFA |
| Sequence structure: | RTLGTGSFGRVMLYAMKILHTLNEKRIQQAVNPFLVKLEFSYMVLEYAPGGEMFSHLRRYLHSLDLIYRDLKPENLLIVADFGFA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL495727 |
| Bioaffinities: | 47 records for 26 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Fibroblast growth factor receptor 1 | 8 | 8 | 8 | pIC50 | 2 |
| Homo sapiens | Fibroblast growth factor receptor 2 | 8 | 8 | 9 | pIC50 | 2 |
| Homo sapiens | Fibroblast growth factor receptor 3 | 8 | 8 | 8 | pIC50 | 1 |
| Homo sapiens | Glycogen synthase kinase-3 beta | 9 | 9 | 9 | pIC50 | 1 |
| Homo sapiens | Maternal embryonic leucine zipper kinase | 6.2 | 6.2 | 6.2 | pIC50 | 1 |
| Homo sapiens | Platelet-derived growth factor receptor alpha | 8 | 8 | 8 | pIC50 | 1 |
| Homo sapiens | Protein kinase C mu | 8 | 8 | 8 | pIC50 | 1 |
| Homo sapiens | Proto-oncogene tyrosine-protein kinase MER | 9 | 9 | 9 | pIC50 | 1 |
| Homo sapiens | Pyruvate dehydrogenase kinase isoform 1 | 8 | 8 | 8 | pIC50 | 1 |
| Homo sapiens | Ribosomal protein S6 kinase alpha 2 | 9 | 9 | 9 | pIC50 | 2 |
| Homo sapiens | Ribosomal protein S6 kinase alpha 3 | 9 | 9 | 9 | pIC50 | 2 |
| Homo sapiens | Ribosomal protein S6 kinase alpha 4 | 8 | 8 | 8 | pIC50 | 2 |
| Homo sapiens | Serine/threonine-protein kinase 17A | 8 | 8 | 8 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase Aurora-A | 8.5 | 8.5 | 8.5 | pIC50 | 2 |
| Homo sapiens | Serine/threonine-protein kinase Aurora-A | 7.3 | 7.3 | 7.3 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase Aurora-B | 8.5 | 7.5 | 8.6 | pIC50 | 3 |
| Homo sapiens | Tyrosine-protein kinase ABL | 8.4 | 8 | 8.4 | pIC50 | 3 |
| Homo sapiens | Tyrosine-protein kinase JAK2 | 8.9 | 8.9 | 9 | pIC50 | 4 |
| Homo sapiens | Tyrosine-protein kinase JAK2 | 8 | 8 | 8 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase JAK3 | 9 | 9 | 9 | pIC50 | 4 |
| Homo sapiens | Tyrosine-protein kinase receptor FLT3 | 8 | 8 | 8 | pIC50 | 2 |
| Homo sapiens | Tyrosine-protein kinase receptor RET | 9 | 9 | 9 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase SRC | 8 | 8 | 8 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase TYK2 | 9 | 9 | 9 | pIC50 | 2 |
| Homo sapiens | Tyrosine-protein kinase YES | 9 | 9 | 9 | pIC50 | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 1 | 8 | 8 | 8 | pIC50 | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 8 | 8 | 8 | pIC50 | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 3 | 9 | 9 | 9 | pIC50 | 1 |
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 47 | 2 T 48 | 3 L 49 | 4 G 50 | 5 T 51 | 6 G 52 | 7 S 53 | 8 F 54 | 9 G 55 | 10 R 56 | 11 V 57 | 12 M 58 | 13 L 59 | 14 Y 69 | 15 A 70 | 16 M 71 | 17 K 72 | 18 I 73 | 19 L 74 | 20 H 87 |
| • | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 T 88 | 22 L 89 | 23 N 90 | 24 E 91 | 25 K 92 | 26 R 93 | 27 I 94 | 28 Q 95 | 29 Q 96 | 30 A 97 | 31 V 98 | 32 N 99 | 33 P 101 | 34 F 102 | 35 L 103 | 36 V 104 | 37 K 105 | 38 L 106 | 39 E 107 | 40 F 108 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 S 109 | 42 Y 117 | 43 M 118 | 44 V 119 | 45 L 120 | 46 E 121 | 47 Y 122 | 48 A 123 | 49 P 124 | 50 G 125 | 51 G 126 | 52 E 127 | 53 M 128 | 54 F 129 | 55 S 130 | 56 H 131 | 57 L 132 | 58 R 133 | 59 R 134 | 60 Y 156 |
| • | • | •• | •• | • | • | • | • | •• | |||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 157 | 62 H 158 | 63 S 159 | 64 L 160 | 65 D 161 | 66 L 162 | 67 I 163 | 68 Y 164 | 69 R 165 | 70 D 166 | 71 L 167 | 72 K 168 | 73 P 169 | 74 E 170 | 75 N 171 | 76 L 172 | 77 L 173 | 78 I 174 | 79 V 182 | 80 A 183 |
| • | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 184 | 82 F 185 | 83 G 186 | 84 F 187 | 85 A 188 | |||||||||||||||
Interaction pattern search
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