8BIK

Crystal structure of human AMPK heterotrimer in complex with allosteric activator C455

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D	5'-AMP-activated protein kinase catalytic subunit alpha-2	polymer	559	63368.7	2	UniProt (P54646) Pfam (PF00069) Pfam (PF21147) Pfam (PF16579) In PDB	Homo sapiens (human)	AMPK subunit alpha-2,Acetyl-CoA carboxylase kinase,ACACA kinase,Hydroxymethylglutaryl-CoA reductase kinase,HMGCR kinase
2	B, E	5'-AMP-activated protein kinase subunit beta-1	polymer	270	30504.3	2	UniProt (Q9Y478) Pfam (PF16561) Pfam (PF04739) In PDB	Homo sapiens (human)	AMPK subunit beta-1,AMPKb
3	C, F	5'-AMP-activated protein kinase subunit gamma-1	polymer	331	37626.3	2	UniProt (P54619) Pfam (PF00571) In PDB	Homo sapiens (human)	AMPK gamma1,AMPK subunit gamma-1,AMPKg
4	A, D	STAUROSPORINE	non-polymer		466.5	2	Chemie (STU)
5	A, D	(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	non-polymer		543.0	2	Chemie (QTN)
6	C, F	ADENOSINE MONOPHOSPHATE	non-polymer		347.2	5	Chemie (AMP)
7		water	water		18.0	482	Chemie (HOH)

Sequence modifications

A, D: 1 - 552 (UniProt: P54646)

PDB	External Database	Details
Met -6	-	initiating methionine
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	262998.5
Non-Polymers*	Number of molecules	9
	Total formula weight	3755.2
All*	Total formula weight	266753.8

*Water molecules are not included.