PDB-code
| Kinase structure | |
| Kinase: | PRKAA1 (AMPKa1) |
| Family: | CAMKL |
| Group: | CAMK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1541 |
| PDB: | 7M74 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2021-12-15 |
| PubMed: | 34437114 |
| Chain: | A |
| Orthosteric ligand: | TAK |
 | |
| Structural information | |
| DFG conformation: | na |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | 48.1° (14.5Å) |
| G-rich loop rotation: | 46.2° |
| Quality Score: | 4.4 |
| Resolution: | 3.93 Å |
| Missing Residues: | 7 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | ||||
| Pocket alignment | |
| Uniprot sequence: | DTLGVGTFGKVKVVAVKILKIRREIQNLKLFRPHIIKLYQVFMVMEYVSGGELFDYICKYCHRHMVVHRDLKPENVLLIADFGLS |
| Sequence structure: | DTLGVGTFGKVKVVAVKILKIRREIQNLKLFRPHIIKLYQVFMVMEYVSGGELFDYICKYCHRHMVVHRDLKPENVLL_______ |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL478629 |
| Bioaffinities: | 28 records for 18 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Activin receptor type-1 | 6.8 | 6.8 | 7.2 | pIC50 | 2 |
| Homo sapiens | Activin receptor type-1B | 4.6 | 4.6 | 4.6 | pIC50 | 1 |
| Homo sapiens | AMP-activated protein kinase, beta-1 subunit | 6.5 | 6.5 | 6.6 | pIC50 | 2 |
| Homo sapiens | Bone morphogenetic protein receptor type-1A | 7 | 7 | 7 | pIC50 | 1 |
| Homo sapiens | Bone morphogenetic protein receptor type-1B | 6.3 | 6.3 | 6.6 | pIC50 | 2 |
| Homo sapiens | Bone morphogenetic protein receptor type-2 | 7.1 | 7.1 | 7.1 | pIC50 | 1 |
| Homo sapiens | Ephrin type-A receptor 2 | 8 | 8 | 8 | pIC50 | 1 |
| Homo sapiens | Interferon-induced, double-stranded RNA-activated protein kinase | 4.8 | 4.8 | 4.8 | pIC50 | 1 |
| Homo sapiens | MAP kinase-interacting serine/threonine-protein kinase MNK1 | 8 | 8 | 8 | pIC50 | 1 |
| Homo sapiens | Ribosomal protein S6 kinase alpha 1 | 6.7 | 6.7 | 6.7 | pIC50 | 2 |
| Homo sapiens | Serine/threonine-protein kinase receptor R3 | 7 | 7 | 7 | pIC50 | 1 |
| Homo sapiens | TGF-beta receptor type I | 5 | 4.8 | 5 | pIC50 | 3 |
| Homo sapiens | TGF-beta receptor type II | 7 | 7 | 7 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase LCK | 7.8 | 7.8 | 7.8 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase SRC | 8.7 | 8.7 | 8.7 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase YES | 6.7 | 6.7 | 7.5 | pIC50 | 2 |
| Homo sapiens | Vascular endothelial growth factor receptor 1 | 8 | 8 | 8 | pIC50 | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 7.6 | 6.7 | 8.4 | pIC50 | 4 |
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 D 22 | 2 T 23 | 3 L 24 | 4 G 25 | 5 V 26 | 6 G 27 | 7 T 28 | 8 F 29 | 9 G 30 | 10 K 31 | 11 V 32 | 12 K 33 | 13 V 34 | 14 V 44 | 15 A 45 | 16 V 46 | 17 K 47 | 18 I 48 | 19 L 49 | 20 K 62 |
| • | • | • | |||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 I 63 | 22 R 64 | 23 R 65 | 24 E 66 | 25 I 67 | 26 Q 68 | 27 N 69 | 28 L 70 | 29 K 71 | 30 L 72 | 31 F 73 | 32 R 74 | 33 P 76 | 34 H 77 | 35 I 78 | 36 I 79 | 37 K 80 | 38 L 81 | 39 Y 82 | 40 Q 83 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 84 | 42 F 92 | 43 M 93 | 44 V 94 | 45 M 95 | 46 E 96 | 47 Y 97 | 48 V 98 | 49 S 99 | 50 G 100 | 51 G 101 | 52 E 102 | 53 L 103 | 54 F 104 | 55 D 105 | 56 Y 106 | 57 I 107 | 58 C 108 | 59 K 109 | 60 Y 131 |
| • | •• | •• | • | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 C 132 | 62 H 133 | 63 R 134 | 64 H 135 | 65 M 136 | 66 V 137 | 67 V 138 | 68 H 139 | 69 R 140 | 70 D 141 | 71 L 142 | 72 K 143 | 73 P 144 | 74 E 145 | 75 N 146 | 76 V 147 | 77 L 148 | 78 L 149 | 79 _ _ | 80 _ _ |
| • | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 _ _ | 82 _ _ | 83 _ _ | 84 _ _ | 85 _ _ | |||||||||||||||
Interaction pattern search
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