37HF

PCSK9 bound to small molecule inhibitor AZD-0780

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	Propeptide of Proprotein convertase subtilisin/kexin type 9	polymer	122	13791.5	2	UniProt (Q8NBP7)	Homo sapiens (human)
2	B, D (B, D)	Proprotein convertase subtilisin/kexin type 9	polymer	546	58272.6	2	UniProt (Q8NBP7)	Homo sapiens (human)	Neural apoptosis-regulated convertase 1,NARC-1,Proprotein convertase 9,PC9,Subtilisin/kexin-like protease PC9
3	E, G (B, D)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA) PubChem (271)
4	F (B)	1-[6-[[(1~{S},3~{S})-3-[[5-[bis(fluoranyl)methoxy]pyrimidin-2-yl]amino]cyclopentyl]amino]pyridin-3-yl]pyridin-2-one	non-polymer		414.4	1	Chemie (A1IYR)
5	H, I, J, K (A, B, C, D)	water	water		18.0	504	Chemie (HOH)

Sequence modifications

B, D: 153 - 692 (UniProt: Q8NBP7)

PDB	External Database	Details
Ile 474	Val 474	variant
Glu 670	Gly 670	variant
His 693	-	expression tag
His 694	-	expression tag
His 695	-	expression tag
His 696	-	expression tag
His 697	-	expression tag
His 698	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	144128.2
Non-Polymers*	Number of molecules	3
	Total formula weight	494.6
All*	Total formula weight	144622.7

*Water molecules are not included.