2YA3

STRUCTURE OF THE REGULATORY FRAGMENT OF MAMMALIAN AMPK IN COMPLEX WITH COUMARIN ADP

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	173	19486.8	1	UniProt (P54645) Pfam (PF16579)	RATTUS NORVEGICUS (NORWAY RAT)	AMPK SUBUNIT ALPHA-1
2	B (B)	5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT BETA-2	polymer	87	10040.8	1	UniProt (O43741) Pfam (PF04739)	HOMO SAPIENS (HUMAN)	AMPK SUBUNIT BETA-2
3	C (E)	5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1	polymer	330	37434.1	1	UniProt (P80385) Pfam (PF00571)	RATTUS NORVEGICUS (NORWAY RAT)	AMPK SUBUNIT ALPHA-1, AMPK GAMMA1, AMPK SUBUNIT GAMMA-1, AMPKG
4	D, E (E)	3'-(7-diethylaminocoumarin-3-carbonylamino)-3'-deoxy-ADP	non-polymer		669.5	2	Chemie (J7V)
5	F (E)	ADENOSINE MONOPHOSPHATE	non-polymer		347.2	1	Chemie (AMP)
6	G, H, I (A, B, E)	water	water		18.0	142	Chemie (HOH)

Sequence modifications

A: 396 - 544 (UniProt: P54645)

PDB	External Database	Details
Met 378	-	expression tag
Ser 379	-	expression tag
His 380	-	expression tag
His 381	-	expression tag
His 382	-	expression tag
His 383	-	expression tag
His 384	-	expression tag
His 385	-	expression tag
Ser 386	-	expression tag
Gly 387	-	expression tag
Leu 388	-	expression tag
Val 389	-	expression tag
Pro 390	-	expression tag
Arg 391	-	expression tag
Gly 392	-	expression tag
Ser 393	-	cloning artifact
Met 394	-	cloning artifact
Ala 395	-	cloning artifact
Asn 545	-	cloning artifact
Ser 546	-	cloning artifact
Cys 547	-	cloning artifact
Thr 548	-	cloning artifact
Val 549	-	cloning artifact
Asn 550	-	cloning artifact

B: 187 - 272 (UniProt: O43741)

PDB	External Database	Details
Met 186	-	cloning artifact

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	66961.7
Non-Polymers*	Number of molecules	3
	Total formula weight	1686.2
All*	Total formula weight	68647.9

*Water molecules are not included.