UniProt Q9Y478
5'-AMP-activated protein kinase subunit beta-1 (Q9Y478)
5'-AMP-activated protein kinase subunit beta-1 (UniProt Q9Y478): 19 experimental structures and 1 predicted model on GenesisL1, 7 ligands bound, 66 pockets. Binding sites, druggability and experiment against prediction (TM-score)…
- UniProt
- Q9Y478
- Protein
- 5'-AMP-activated protein kinase subunit beta-1
- Experimental structures
- 19
- Predicted models
- 1
- Ligands
- 7
- Pockets
- 66 · 5 records with a druggable one
Structures
20 records of Q9Y478 in the MolNFT archive: 19 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4CFE | Structure of full length human AMPK in complex with a small molecule activator, a benzimidazole… | x-ray diffraction | B, D | — | — |
| 4CFE | Structure of full length human ampk in complex with a small molecule activator, a benzimidazole… | x-ray diffraction | B, D | — | — |
| 4CFF | Structure of full length human AMPK in complex with a small molecule activator, a thienopyridone… | x-ray diffraction | B, D | — | — |
| 4CFF | Structure of full length human ampk in complex with a small molecule activator, a thienopyridone… | x-ray diffraction | B, D | — | — |
| 4ZHX | Novel binding site for allosteric activation of ampk | x-ray diffraction | B, D | — | — |
| 5EZV | X-ray crystal structure of AMP-activated protein kinase alpha-2/alpha-1 RIM chimaera… | x-ray diffraction | B, D | C1V | — |
| 5EZV | X-ray crystal structure of AMP-activated protein kinase alpha-2/ALPHA- 1 rim chimaera… | x-ray diffraction | B, D | — | — |
| 5ISO | Structure of full length human ampk (non-phosphorylated at T-loop) in complex with a small molecule… | x-ray diffraction | B, D | 992 | 17 (best 0.83) |
| 5ISO | Structure of full length human ampk (non-phosphorylated at T-loop) in complex with a small molecule… | x-ray diffraction | B, D | — | — |
| 6B1U | Structure of full-length human AMPK (a2b1g1) in complex with a small molecule activator SC4 | x-ray diffraction | B, D | CG7 | 15 (best 0.80) |
| 6B1U | Structure of full-length human ampk (A2B1G1) in complex with a small molecule activator SC4 | x-ray diffraction | B, D | CG7 | — |
| 6C9F | AMP-activated protein kinase bound to pharmacological activator R734 | x-ray diffraction | B | R34 | 8 (best 0.81) |
| 6C9F | AMP-activated protein kinase bound to pharmacological activator R734 | x-ray diffraction | B | R34 | — |
| 6C9G | AMP-activated protein kinase bound to pharmacological activator R739 | x-ray diffraction | B | R93 | — |
| 6C9H | non-phosphorylated AMP-activated protein kinase bound to pharmacological activator R734 | x-ray diffraction | B | R34 | 9 (best 0.85) |
| 6C9H | Non-phosphorylated AMP-activated protein kinase bound to pharmacological activator R734 | x-ray diffraction | B | R34 | — |
| 6C9J | AMP-activated protein kinase bound to pharmacological activator R734 | x-ray diffraction | B | R34 | — |
| 7MYJ | Structure of full length human ampk (A2B1G1) in complex with a small molecule activator MSG011 | x-ray diffraction | B, D | ZQV | — |
| 8BIK | Crystal structure of human AMPK heterotrimer in complex with allosteric activator C455 | x-ray diffraction | B, E | QTN | 17 (best 0.84) |
| Q9Y478 | AlphaFold monomer V2.0 prediction for 5'-AMP-activated protein kinase subunit beta-1 (Q9Y478) | predicted | A | — | — |
Ligands
- R34 · 5-{[6-chloro-5-(1-methyl-1H-indol-5-yl)-1H-benzimidazol-2-yl]oxy}-N-hydroxy-2-methylbenzamide · in 5 records
- CG7 · 5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy}-2-methylbenzoic acid · in 2 records
- 992 · 5-[[6-chloranyl-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methyl-benzoic acid · in 1 record
- C1V · 3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile · in 1 record
- QTN · (3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-[[6-chloranyl-5-[4-[4-[[dimethyl(oxidanyl)-$l^{4}-sulfanyl]amino]phenyl]phenyl]-3~{H}-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]furan-3-ol · in 1 record
- R93 · 5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1H-benzimidazol-2-yl]oxy}-N-hydroxy-2-methylbenzamide · in 1 record
- ZQV · 5-({5-[(4'R)-4'-acetamido-2',3',4',5'-tetrahydro[1,1'-biphenyl]-4-yl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl}oxy)-2-methylbenzoic acid · in 1 record
Experiment against prediction
- 6C9H chain B against the predicted model Q9Y478: TM-score 0.99, RMSD 0.60 Å
- 6C9H chain B against the predicted model Q9Y478: TM-score 0.99, RMSD 0.60 Å
- 6C9J chain B against the predicted model Q9Y478: TM-score 0.97, RMSD 1.13 Å
- 6C9F chain B against the predicted model Q9Y478: TM-score 0.96, RMSD 1.21 Å
- 6C9F chain B against the predicted model Q9Y478: TM-score 0.96, RMSD 1.21 Å
- 6C9G chain B against the predicted model Q9Y478: TM-score 0.96, RMSD 1.23 Å
- 8BIK chain E against the predicted model Q9Y478: TM-score 0.91, RMSD 1.88 Å
- 4CFE chain D against the predicted model Q9Y478: TM-score 0.90, RMSD 1.77 Å
- 4CFE chain D against the predicted model Q9Y478: TM-score 0.90, RMSD 1.77 Å
- 4CFF chain D against the predicted model Q9Y478: TM-score 0.90, RMSD 1.76 Å
Elsewhere
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