4RER

Crystal structure of the phosphorylated human alpha1 beta2 gamma1 holo-AMPK complex bound to AMP and cyclodextrin

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	5'-AMP-activated protein kinase catalytic subunit alpha-1	polymer	540	61566.1	1	UniProt (Q13131) Pfam (PF00069) Pfam (PF21147) Pfam (PF16579)	Homo sapiens (human)	AMPK subunit alpha-1, Acetyl-CoA carboxylase kinase, ACACA kinase, Hydroxymethylglutaryl-CoA reductase kinase, HMGCR kinase, Tau-protein kinase PRKAA1
2	B (B)	5'-AMP-activated protein kinase subunit beta-2	polymer	197	22449.5	1	UniProt (O43741) Pfam (PF16561) Pfam (PF04739)	Homo sapiens (human)	AMPK subunit beta-2
3	C (G)	5'-AMP-activated protein kinase subunit gamma-1	polymer	304	34645.1	1	UniProt (P54619) Pfam (PF00571)	Homo sapiens (human)	AMPK gamma1, AMPK subunit gamma-1, AMPKg
4	D (C)	Cycloheptakis-(1-4)-(alpha-D-glucopyranose)	branched		1153.0	1	In PDB BIRD (PRD_900012) GlyTouCan (G01435GL)		beta-cyclodextrin
5	E (A)	STAUROSPORINE	non-polymer		466.5	1	Chemie (STU)
6	F (A)	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	1	Chemie (EPE)
7	G, H, I (G)	ADENOSINE MONOPHOSPHATE	non-polymer		347.2	3	Chemie (AMP)

Sequence modifications

A: 11 - 550 (UniProt: Q13131)

PDB	External Database	Details
Ser 12	Arg 21	conflict
Ser 260	Thr 269	conflict
Gly 471	Glu 480	engineered mutation
Ala 474	Glu 483	engineered mutation
Ala 476	Lys 485	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	118660.7
Branched	Number of molecules	1
	Total formula weight	1153.0
Non-Polymers*	Number of molecules	5
	Total formula weight	1746.5
All*	Total formula weight	121560.2

*Water molecules are not included.