9FIE

X-ray structure of furin (PCSK3) in complex with the PC1/3 (PCSK1) prodomain mutant R77A,R80A,R81A

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, E, G (A, C, E, G)	Furin	polymer	482	52388.6	4	UniProt (P09958) Pfam (PF00082) Pfam (PF01483)	Homo sapiens (human)	Dibasic-processing enzyme,Paired basic amino acid residue-cleaving enzyme,PACE
2	B, D, F, H (B, D, F, H)	Neuroendocrine convertase 1	polymer	84	9551.6	4	UniProt (P29120) Pfam (PF16470)	Homo sapiens (human)	NEC 1,Prohormone convertase 1,Proprotein convertase 1,PC1
3	I, J, K, N, O... (A, C, E, G)	CALCIUM ION	non-polymer		40.1	12	Chemie (CA)
4	AA, BA, L, M, Q... (G, H, A, B, C...)	SODIUM ION	non-polymer		23.0	7	Chemie (NA)
5	V (E)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
6	CA, DA, EA, FA, GA... (A, B, C, D, E...)	water	water		18.0	871	Chemie (HOH)

Sequence modifications

A, C, E, G: 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

B, D, F, H: 28 - 110 (UniProt: P29120)

PDB	External Database	Details
Gly 27	-	expression tag
Ala 77	Arg 77	engineered mutation
Ala 80	Arg 80	engineered mutation
Ala 81	Arg 81	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	247760.7
Non-Polymers*	Number of molecules	20
	Total formula weight	863.1
All*	Total formula weight	248623.8

*Water molecules are not included.