5MIM

Xray structure of human furin bound with the 2,5-dideoxystreptamine derived small molecule inhibitor 1n

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	A	CALCIUM ION	non-polymer		40.1	3	Chemie (CA)
3	A	SODIUM ION	non-polymer		23.0	4	Chemie (NA)
4	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
5	A	1-[(1~{R},2~{R},4~{S},5~{S})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine	non-polymer		587.7	2	Chemie (1N)
6		water	water		18.0	485	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	1
	Total formula weight	52388.6
Non-Polymers*	Number of molecules	10
	Total formula weight	1423.0
All*	Total formula weight	53811.6

*Water molecules are not included.