4EC4

XIAP-BIR3 in complex with a potent divalent Smac mimetic

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	10	UniProt (P98170) Pfam (PF00653) In PDB	Homo sapiens (human)	E3 ubiquitin-protein ligase XIAP, IAP-like protein, ILP, hILP, Inhibitor of apoptosis protein 3, IAP-3, hIAP-3, hIAP3, X-linked inhibitor of apoptosis protein, X-linked IAP
2	G, K, L, A, B...	ZINC ION	non-polymer		65.4	10	Chemie (ZN)
3	A, B, D, E, J	(3S,6S,7S,9aS,3'S,6'S,7'S,9a'S)-N,N'-(benzene-1,4-diylbis{butane-4,1-diyl-1H-1,2,3-triazole-1,4-diyl[(S)-phenylmethanediyl]})bis[7-(hydroxymethyl)-6-{[(2S)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide]	non-polymer		1181.5	5	Chemie (0O6)
4	A, D, J	3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL	non-polymer		326.4	3	Chemie (P33)
5	G, E	NONAETHYLENE GLYCOL	non-polymer		414.5	2	Chemie (2PE)
6		water	water		18.0	96	Chemie (HOH)

Sequence modifications

A, B, C, D, E, J, F, G, K, L: 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	10
	Total formula weight	141226.4
Non-Polymers*	Number of molecules	20
	Total formula weight	8369.6
All*	Total formula weight	149595.9

*Water molecules are not included.