7QXZ

X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 5

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Furin	polymer	480	52112.3	1	UniProt (P09958) Pfam (PF00082) Pfam (PF01483) In PDB	Homo sapiens (human)	Dibasic-processing enzyme,Paired basic amino acid residue-cleaving enzyme,PACE
2	A	CALCIUM ION	non-polymer		40.1	3	Chemie (CA)
3	A	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
4	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
5	A	2-[(3S)-1-[[2-[3,5-bis(chloranyl)phenyl]-6-[2-(4-methylpiperazin-4-ium-1-yl)pyrimidin-5-yl]oxy-pyridin-4-yl]methyl]pyrrolidin-1-ium-3-yl]oxyethanoic acid	non-polymer		575.5	1	Chemie (I0M)
6		water	water		18.0	568	Chemie (HOH)

Sequence modifications

A: 108 - 574 (UniProt: P09958)

PDB	External Database	Details
Ser 575	-	expression tag
Gly 576	-	expression tag
Ser 577	-	expression tag
Leu 578	-	expression tag
Val 579	-	expression tag
Pro 580	-	expression tag
Arg 581	-	expression tag
Gly 582	-	expression tag
Ser 583	-	expression tag
His 584	-	expression tag
His 585	-	expression tag
His 586	-	expression tag
His 587	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	52112.3
Non-Polymers*	Number of molecules	7
	Total formula weight	777.2
All*	Total formula weight	52889.5

*Water molecules are not included.