4EB9

cIAP1-BIR3 in complex with a 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	Baculoviral IAP repeat-containing protein 2	polymer	122	14390.2	4	UniProt (Q13490) Pfam (PF00653) In PDB	Homo sapiens (human)	C-IAP1, IAP homolog B, Inhibitor of apoptosis protein 2, IAP-2, hIAP-2, hIAP2, RING finger protein 48, TNFR2-TRAF-signaling complex protein 2
2	A, B, C, D	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
3	C, D	(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	2	Chemie (0O6)
4		water	water		18.0	111	Chemie (HOH)

Sequence modifications

A, B, C, D: 245 - 357 (UniProt: Q13490)

PDB	External Database	Details
Met 244	-	initiating methionine
Leu 358	-	expression tag
Glu 359	-	expression tag
His 360	-	expression tag
His 361	-	expression tag
His 362	-	expression tag
His 363	-	expression tag
His 364	-	expression tag
His 365	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	57561.0
Non-Polymers*	Number of molecules	6
	Total formula weight	2624.6
All*	Total formula weight	60185.5

*Water molecules are not included.