UniProt P54645
5'-AMP-activated protein kinase catalytic subunit alpha-1 (P54645)
5'-AMP-activated protein kinase catalytic subunit alpha-1 (UniProt P54645), EC 2.7.11.1, 2.7.11.26: 41 experimental structures and 1 predicted model on GenesisL1, 13 ligands bound, 257 pockets. Binding sites, druggability and…
- UniProt
- P54645
- Protein
- 5'-AMP-activated protein kinase catalytic subunit alpha-1
- EC
- 2.7.11.1, 2.7.11.26, 2.7.11.27, 2.7.11.31
- Experimental structures
- 41
- Predicted models
- 1
- Ligands
- 13
- Pockets
- 257 · 33 records with a druggable one
Structures
42 records of P54645 in the MolNFT archive: 41 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2V8Q | Crystal structure of the regulatory fragment of mammalian AMPK in complexes with AMP | x-ray diffraction | A | — | 6 (best 0.55) |
| 2V8Q | Crystal structure of the regulatory fragment of mammalian ampk in complexes with AMP | x-ray diffraction | A | — | 6 (best 0.55) |
| 2V92 | Crystal structure of the regulatory fragment of mammalian AMPK in complexes with ATP-AMP | x-ray diffraction | A | — | 6 (best 0.55) |
| 2V92 | Crystal structure of the regulatory fragment of mammalian ampk in complexes with ATP-AMP | x-ray diffraction | A | — | 6 (best 0.55) |
| 2V9J | Crystal structure of the regulatory fragment of mammalian AMPK in complexes with Mg.ATP-AMP | x-ray diffraction | A | — | 5 (best 0.57) |
| 2V9J | Crystal structure of the regulatory fragment of mammalian ampk in complexes with MG.ATP-AMP | x-ray diffraction | A | — | 5 (best 0.57) |
| 2Y8L | Structure of the regulatory fragment of mammalian aMPK in complex with two ADP | x-ray diffraction | A | — | 7 (best 0.60) |
| 2Y8L | Structure of the regulatory fragment of mammalian ampk in complex with two ADP | x-ray diffraction | A | — | 7 (best 0.60) |
| 2Y8Q | Structure of the regulatory fragment of mammalian AMPK in complex with one ADP | x-ray diffraction | A | — | 4 (best 0.60) |
| 2Y8Q | Structure of the regulatory fragment of mammalian ampk in complex with one ADP | x-ray diffraction | A | — | 4 (best 0.60) |
| 2YA3 | Structure of the regulatory fragment of mammalian ampk in complex with coumarin ADP | x-ray diffraction | A | — | 5 (best 0.58) |
| 2YA3 | Structure of the regulatory fragment of mammalian ampk in complex with coumarin ADP | x-ray diffraction | A | — | 5 (best 0.58) |
| 4CFH | Structure of an active form of mammalian AMPK | x-ray diffraction | A, C | STU, AMP | 14 (best 0.81) |
| 4CFH | Structure of an active form of mammalian ampk | x-ray diffraction | A, C | STU, AMP | 14 (best 0.81) |
| 4EAI | Co-crystal structure of an AMPK core with AMP | x-ray diffraction | A | — | 5 (best 0.47) |
| 4EAI | Co-crystal structure of an ampk core with AMP | x-ray diffraction | A | — | 5 (best 0.47) |
| 4EAJ | Co-crystal of AMPK core with AMP soaked with ATP | x-ray diffraction | A | — | 5 (best 0.54) |
| 4EAJ | Co-crystal of ampk core with AMP soaked with ATP | x-ray diffraction | A | — | 5 (best 0.54) |
| 4EAK | Co-crystal structure of an AMPK core with ATP | x-ray diffraction | A | — | 2 (best 0.45) |
| 4EAK | Co-crystal structure of an ampk core with ATP | x-ray diffraction | A | — | 2 (best 0.45) |
| 4EAL | Co-crystal of AMPK core with ATP soaked with AMP | x-ray diffraction | A | — | 3 (best 0.42) |
| 4EAL | Co-crystal of ampk core with ATP soaked with AMP | x-ray diffraction | A | — | 3 (best 0.42) |
| 4F2L | Structure of a regulatory domain of AMPK | x-ray diffraction | A | MG | — |
| 4F2L | Structure of a regulatory domain of ampk | x-ray diffraction | A | MG | — |
| 4QFG | Structure of AMPK in complex with STAUROSPORINE inhibitor and in the absence of a synthetic… | x-ray diffraction | A | STU, CL, SO4 | 7 (best 0.69) |
| 4QFG | Structure of ampk in complex with staurosporine inhibitor and in the absence of a synthetic… | x-ray diffraction | A | STU, CL, SO4 | 7 (best 0.69) |
| 4QFR | Structure of AMPK in complex with Cl-A769662 activator and STAUROSPORINE inhibitor | x-ray diffraction | A | STU, CL, 32J | 7 (best 0.65) |
| 4QFR | Structure of ampk in complex with cl-A769662 activator and staurosporine inhibitor | x-ray diffraction | A | STU, CL, 32J | 7 (best 0.65) |
| 4QFS | Structure of AMPK in complex with Br2-A769662core activator and STAUROSPORINE inhibitor | x-ray diffraction | A | STU, 32H, CL | 7 (best 0.65) |
| 4QFS | Structure of ampk in complex with BR2-A769662CORE activator and staurosporine inhibitor | x-ray diffraction | A | STU, 32H, CL | 7 (best 0.65) |
| 5KQ5 | AMPK bound to allosteric activator | x-ray diffraction | A | STU, 6VT, CL | 8 (best 0.63) |
| 5KQ5 | Ampk bound to allosteric activator | x-ray diffraction | A | STU, 6VT, CL | 8 (best 0.63) |
| 5T5T | Ampk bound to allosteric activator | x-ray diffraction | A | STU, CL, SO4, 75O | 11 (best 0.65) |
| 5UFU | Structure of AMPK bound to activator | x-ray diffraction | A | STU, 85V, CL, SO4 | 10 (best 0.69) |
| 5UFU | Structure of ampk bound to activator | x-ray diffraction | A | STU, 85V, CL, SO4 | 10 (best 0.69) |
| 6E4T | Structure of AMPK bound to activator | x-ray diffraction | A | HTV, STU, CL | 8 (best 0.65) |
| 6E4T | Structure of ampk bound to activator | x-ray diffraction | A | HTV, STU, CL | 8 (best 0.65) |
| 6E4U | Structure of AMPK bound to activator | x-ray diffraction | A | STU, HU7, CL | 6 (best 0.63) |
| 6E4U | Structure of ampk bound to activator | x-ray diffraction | A | STU, HU7, CL | 6 (best 0.63) |
| 6E4W | Structure of AMPK bound to activator | x-ray diffraction | A | STU, HUG, CL | 8 (best 0.66) |
| 6E4W | Structure of ampk bound to activator | x-ray diffraction | A | STU, HUG, CL | 8 (best 0.66) |
| P54645 | AlphaFold monomer V2.0 prediction for 5'-AMP-activated protein kinase catalytic subunit alpha-1… | predicted | A | — | — |
Ligands
- STU · Staurosporine · in 19 records
- CL · Chloride ion · in 17 records
- SO4 · Sulfate ion · in 5 records
- 32H · 2-bromo-3-(4-bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile · in 2 records
- 32J · 2-chloro-4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile · in 2 records
- 6VT · 6-chloranyl-5-[4-(1-oxidanylcyclobutyl)phenyl]-1~{H}-indole-3-carboxylic acid · in 2 records
- 85V · 1,4:3,6-dianhydro-2-O-(6-chloro-5-{4-[1-(hydroxymethyl)cyclopropyl]phenyl}-1H-benzimidazol-2-yl)-D-mannitol · in 2 records
- AMP · Adenosine monophosphate · in 2 records
- HTV · 1-O-{6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carbonyl}-beta-D-glucopyranuronic acid · in 2 records
- HU7 · 1-O-{6-chloro-5-[6-(dimethylamino)-2-methoxypyridin-3-yl]-1H-indole-3-carbonyl}-beta-D-glucopyranuronic acid · in 2 records
- HUG · 1-O-(4,6-difluoro-5-{4-[(2S)-oxan-2-yl]phenyl}-1H-indole-3-carbonyl)-beta-D-glucopyranuronic acid · in 2 records
- MG · Magnesium ion · in 2 records
- 75O · 6-chloro-5-[6-(dimethylamino)-2-methoxypyridin-3-yl]-1H-indole-3-carboxylic acid · in 1 record
Experiment against prediction
- 6E4W chain A against the predicted model P54645: TM-score 0.99, RMSD 0.81 Å
- 6E4W chain A against the predicted model P54645: TM-score 0.99, RMSD 0.81 Å
- 5T5T chain A against the predicted model P54645: TM-score 0.99, RMSD 0.84 Å
- 6E4U chain A against the predicted model P54645: TM-score 0.99, RMSD 0.82 Å
- 6E4U chain A against the predicted model P54645: TM-score 0.99, RMSD 0.82 Å
- 6E4T chain A against the predicted model P54645: TM-score 0.99, RMSD 0.85 Å
- 6E4T chain A against the predicted model P54645: TM-score 0.99, RMSD 0.85 Å
- 5UFU chain A against the predicted model P54645: TM-score 0.99, RMSD 0.88 Å
- 5UFU chain A against the predicted model P54645: TM-score 0.99, RMSD 0.88 Å
- 5UFU chain A against the predicted model Q5EG47: TM-score 0.99, RMSD 0.88 Å
Elsewhere
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