3G76

Crystal structure of XIAP-BIR3 in complex with a bivalent compound

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, E...	Baculoviral IAP repeat-containing protein 4	polymer	122	14122.6	8	UniProt (P98170) Pfam (PF00653) In PDB	Homo sapiens (human)	E3 ubiquitin-protein ligase XIAP, Inhibitor of apoptosis protein 3, X-linked inhibitor of apoptosis protein, X-linked IAP, IAP-like protein, HILP
2	A, B, C, D, E...	ZINC ION	non-polymer		65.4	8	Chemie (ZN)
3	A, B, C, D, E...	1,1'-{hexa-2,4-diyne-1,6-diylbis[oxy{(2S,3R)-2-[(N-methyl-L-alanyl)amino]-1-oxobutane-3,1-diyl}(2S)pyrrolidine-1,2-diylmethanediyl]}bis[5-(phenylsulfanyl)-1H-tetrazole]	non-polymer		969.2	8	Chemie (CZ3)
4		water	water		18.0	505	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H: 241 - 356 (UniProt: P98170)

PDB	External Database	Details
His 357	-	expression tag
His 358	-	expression tag
His 359	-	expression tag
His 360	-	expression tag
His 361	-	expression tag
His 362	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	112981.1
Non-Polymers*	Number of molecules	16
	Total formula weight	8276.8
All*	Total formula weight	121257.9

*Water molecules are not included.