6QCI

Structure of XIAP-BIR1 V86E mutant

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	E3 ubiquitin-protein ligase XIAP	polymer	111	12387.7	4	UniProt (P98170) Pfam (PF00653)	Homo sapiens (Human)	Baculoviral IAP repeat-containing protein 4,IAP-like protein,hILP,Inhibitor of apoptosis protein 3,hIAP3,RING-type E3 ubiquitin transferase XIAP,X-linked inhibitor of apoptosis protein,X-linked IAP
2	E, G, H, J (A, B, C, D)	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
3	F, K (A, D)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
4	I (C)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
5	L, M, N, O (A, B, C, D)	water	water		18.0	61	Chemie (HOH)

Sequence modifications

A, B, C, D: 10 - 99 (UniProt: P98170)

PDB	External Database	Details
Met -11	-	initiating methionine
Gly -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
Ser -1	-	expression tag
Ser 0	-	expression tag
Gly 1	-	expression tag
Leu 2	-	expression tag
Val 3	-	expression tag
Pro 4	-	expression tag
Gln 5	-	expression tag
Gly 6	-	expression tag
Ser 7	-	expression tag
His 8	-	expression tag
Met 9	-	expression tag
Glu 86	Val 86	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	49550.9
Non-Polymers*	Number of molecules	7
	Total formula weight	413.7
All*	Total formula weight	49964.6

*Water molecules are not included.