5ISO

STRUCTURE OF FULL LENGTH HUMAN AMPK (NON-PHOSPHORYLATED AT T-LOOP) IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR, A BENZIMIDAZOLE DERIVATIVE (991)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C	5'-AMP-activated protein kinase catalytic subunit alpha-2	polymer	552	62408.6	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, D	5'-AMP-activated protein kinase subunit beta-1	polymer	286	32448.5	2	UniProt (Q9Y478) Pfam (PF16561) Pfam (PF04739) In PDB	Homo sapiens (Human)	AMPKb
3	E, F	5'-AMP-activated protein kinase subunit gamma-1	polymer	331	37626.3	2	UniProt (P54619) Pfam (PF00571) In PDB	Homo sapiens (Human)	AMPKg
4	A, C	STAUROSPORINE	non-polymer		466.5	2	Chemie (STU)
5	A, C	5-[[6-chloranyl-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methyl-benzoic acid	non-polymer		431.9	2	Chemie (992)
6	E, F	ADENOSINE MONOPHOSPHATE	non-polymer		347.2	6	Chemie (AMP)
7		water	water		18.0	80	Chemie (HOH)

Sequence modifications

B, D: 1 - 270 (UniProt: Q9Y478)

PDB	External Database	Details
Met -15	-	initiating methionine
Gly -14	-	expression tag
Leu -13	-	expression tag
Asn -12	-	expression tag
Asp -11	-	expression tag
Ile -10	-	expression tag
Phe -9	-	expression tag
Glu -8	-	expression tag
Ala -7	-	expression tag
Gln -6	-	expression tag
Lys -5	-	expression tag
Ile -4	-	expression tag
Glu -3	-	expression tag
Trp -2	-	expression tag
His -1	-	expression tag
Glu 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	264966.7
Non-Polymers*	Number of molecules	10
	Total formula weight	3880.1
All*	Total formula weight	268846.8

*Water molecules are not included.