4CFF

Structure of full length human AMPK in complex with a small molecule activator, a thienopyridone derivative (A-769662)

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	571	64651.0	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)	AMPK SUBUNIT BETA-1, 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)	AMPK GAMMA1, AMPK SUBUNIT GAMMA-1, AMPKG
4	A, C	STAUROSPORINE	non-polymer		466.5	2	Chemie (STU)
5	B, C	3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile	non-polymer		360.4	2	Chemie (C1V)
6	E, F	ADENOSINE MONOPHOSPHATE	non-polymer		347.2	4	Chemie (AMP)

Sequence modifications

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

PDB	External Database	Details
Met -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Leu -7	-	expression tag
Glu -6	-	expression tag
Val -5	-	expression tag
Leu -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
Pro 0	-	expression tag

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

PDB	External Database	Details
Met -15	-	expression tag
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	269451.4
Non-Polymers*	Number of molecules	8
	Total formula weight	3042.7
All*	Total formula weight	272494.2

*Water molecules are not included.