UniProt P54646

5'-AMP-activated protein kinase catalytic subunit alpha-2 (P54646)

5'-AMP-activated protein kinase catalytic subunit alpha-2 (UniProt P54646), EC 2.7.11.1, 2.7.11.27: 23 experimental structures and 1 predicted model on GenesisL1, 9 ligands bound, 59 pockets. Binding sites, druggability and…

UniProt: P54646
Protein: 5'-AMP-activated protein kinase catalytic subunit alpha-2
EC: 2.7.11.1, 2.7.11.27, 2.7.11.31
Experimental structures: 23
Predicted models: 1
Ligands: 9
Pockets: 59 · 3 records with a druggable one

Structures

24 records of P54646 in the MolNFT archive: 23 experimental, 1 predicted.

Entry	Title	Method	Chains	Ligands	Pockets
2H6D	Protein Kinase Domain of the Human 5'-AMP-activated protein kinase catalytic subunit alpha-2 (AMPK…	x-ray diffraction	A	—	—
2H6D	Protein kinase domain of the human 5'-AMP-activated protein kinase catalytic subunit alpha-2 (ampk…	x-ray diffraction	A	—	—
2LTU	Solution Structure of autoinhibitory domain of human AMP-activated protein kinase catalytic subunit	solution nmr	A	—	—
2LTU	Solution structure of autoinhibitory domain of human AMP-activated protein kinase catalytic subunit	solution nmr	A	—	—
2YZA	Crystal structure of kinase domain of Human 5'-AMP-activated protein kinase alpha-2 subunit mutant…	x-ray diffraction	A	—	—
2YZA	Crystal structure of kinase domain of human 5'-AMP-activated protein kinase alpha-2 subunit mutant…	x-ray diffraction	A	—	—
3AQV	Human AMP-activated protein kinase alpha 2 subunit kinase domain (T172D) complexed with compound C	x-ray diffraction	A	—	—
3AQV	Human AMP-activated protein kinase alpha 2 subunit kinase domain (T172D) complexed with compound C	x-ray diffraction	A	—	—
4CFE	Structure of full length human AMPK in complex with a small molecule activator, a benzimidazole…	x-ray diffraction	A, C	—	—
4CFE	Structure of full length human ampk in complex with a small molecule activator, a benzimidazole…	x-ray diffraction	A, C	—	—
4CFF	Structure of full length human AMPK in complex with a small molecule activator, a thienopyridone…	x-ray diffraction	A, C	—	—
4CFF	Structure of full length human ampk in complex with a small molecule activator, a thienopyridone…	x-ray diffraction	A, C	—	—
4ZHX	Novel binding site for allosteric activation of ampk	x-ray diffraction	A, C	—	—
5EZV	X-ray crystal structure of AMP-activated protein kinase alpha-2/alpha-1 RIM chimaera…	x-ray diffraction	A, C	STU, C1V	—
5EZV	X-ray crystal structure of AMP-activated protein kinase alpha-2/ALPHA- 1 rim chimaera…	x-ray diffraction	A, C	—	—
5ISO	Structure of full length human ampk (non-phosphorylated at T-loop) in complex with a small molecule…	x-ray diffraction	A, C	STU, 992, AMP	20 (best 0.83)
5ISO	Structure of full length human ampk (non-phosphorylated at T-loop) in complex with a small molecule…	x-ray diffraction	A, C	—	—
6B1U	Structure of full-length human AMPK (a2b1g1) in complex with a small molecule activator SC4	x-ray diffraction	A, C	STU, CG7, AMP	19 (best 0.80)
6B1U	Structure of full-length human ampk (A2B1G1) in complex with a small molecule activator SC4	x-ray diffraction	A, C	STU, CG7, AMP	—
6B2E	Structure of full length human ampk (A2B2G1) in complex with a small molecule activator SC4.	x-ray diffraction	A	STU, CG7, AMP	—
6BX6	AMP-activated protein kinase (ampk) inhibition by sbi-0206965: alpha 2 kinase domain bound to…	x-ray diffraction	A	EDJ	—
7MYJ	Structure of full length human ampk (A2B1G1) in complex with a small molecule activator MSG011	x-ray diffraction	A, C	4O7, ZQV, AMP	—
8BIK	Crystal structure of human AMPK heterotrimer in complex with allosteric activator C455	x-ray diffraction	A, D	STU, QTN, AMP	20 (best 0.84)
P54646	AlphaFold monomer V2.0 prediction for 5'-AMP-activated protein kinase catalytic subunit alpha-2…	predicted	A	—	—

Ligands

AMP · Adenosine monophosphate · in 6 records
STU · Staurosporine · in 6 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 3 records
4O7 · (5s,6r,7r,9r,13cr,14r,16as)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16A-octahydro-5h,13ch-5,9-epoxy-4B,9A,1 5-triazadibenzo[b,h]cyclonona[1,2,3, 4-jkl]cyclopenta[e]-as-indacen-14-ol · in 1 record
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
EDJ · 2-({5-bromo-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}oxy)-N-methylbenzene-1-carboximidic acid · 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
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

4CFE chain C against the predicted model P54646: TM-score 0.97, RMSD 1.62 Å
4CFE chain C against the predicted model P54646: TM-score 0.97, RMSD 1.62 Å
5EZV chain A against the predicted model Q13131: TM-score 0.96, RMSD 1.62 Å
5EZV chain A against the predicted model Q13131: TM-score 0.96, RMSD 1.62 Å
5EZV chain C against the predicted model Q13131: TM-score 0.96, RMSD 1.66 Å
5EZV chain C against the predicted model Q13131: TM-score 0.96, RMSD 1.66 Å
6B2E chain A against the predicted model P54646: TM-score 0.95, RMSD 1.73 Å
5ISO chain C against the predicted model P54646: TM-score 0.95, RMSD 1.80 Å
5ISO chain C against the predicted model P54646: TM-score 0.95, RMSD 1.80 Å
4CFF chain A against the predicted model P54646: TM-score 0.95, RMSD 1.91 Å

Elsewhere

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