7LCU

X-ray structure of Furin bound to BOS-318, a small molecule inhibitor

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	490	53511.6	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	4	Chemie (CA)
3	A	(1-{[2-(3,5-dichlorophenyl)-6-{[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxy}pyridin-4-yl]methyl}piperidin-4-yl)acetic acid	non-polymer		571.5	1	Chemie (XTA)
4	A	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
5		water	water		18.0	352	Chemie (HOH)

Sequence modifications

A: 108 - 574 (UniProt: P09958)

PDB	External Database	Details
Asp 387	Asn 387	conflict
Asp 440	Asn 440	conflict
Gly 575	-	expression tag
Glu 576	-	expression tag
Asn 577	-	expression tag
Leu 578	-	expression tag
Tyr 579	-	expression tag
Phe 580	-	expression tag
Gln 581	-	expression tag
Gly 582	-	expression tag
Asp 583	-	expression tag
Tyr 584	-	expression tag
Lys 585	-	expression tag
Asp 586	-	expression tag
Asp 587	-	expression tag
Asp 588	-	expression tag
Asp 589	-	expression tag
Lys 590	-	expression tag
Gly 591	-	expression tag
His 592	-	expression tag
His 593	-	expression tag
His 594	-	expression tag
His 595	-	expression tag
His 596	-	expression tag
His 597	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	53511.6
Non-Polymers*	Number of molecules	7
	Total formula weight	855.9
All*	Total formula weight	54367.5

*Water molecules are not included.