3EYL

Crystal structure of XIAP BIR3 domain in complex with a Smac-mimetic 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	Baculoviral IAP repeat-containing protein 4	polymer	122	14122.6	2	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	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3	A, B	(3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-7-(2-aminoethyl)-N-(diphenylmethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide	non-polymer		505.7	2	Chemie (SMK)
4		water	water		18.0	3	Chemie (HOH)

Sequence modifications

A, B: 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	2
	Total formula weight	28245.3
Non-Polymers*	Number of molecules	4
	Total formula weight	1142.1
All*	Total formula weight	29387.4

*Water molecules are not included.