6YD2

X-ray structure of furin in complex with the canavanine-based inhibitor 4-aminomethyl-phenylacetyl-canavanine-Tle-Arg-Amba

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	Furin	polymer	482	52388.6	1	UniProt (P09958) Pfam (PF00082) Pfam (PF01483) In PDB	Homo sapiens (human)	Dibasic-processing enzyme,Paired basic amino acid residue-cleaving enzyme,PACE
2	611	4-aminomethyl-phenylacetyl-canavanine-Tle-Arg-Amba	polymer	5	696.9	1		synthetic construct
3	A	CALCIUM ION	non-polymer		40.1	3	Chemie (CA)
4	A	SODIUM ION	non-polymer		23.0	3	Chemie (NA)
5	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
6	A	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
7	A	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
8		water	water		18.0	443	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
His 588	-	expression tag
His 589	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	53085.5
Non-Polymers*	Number of molecules	10
	Total formula weight	492.7
All*	Total formula weight	53578.2

*Water molecules are not included.