6EY2

Crystal structure of XIAP-BIR3 in complex with a cIAP1-selective SM

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...	E3 ubiquitin-protein ligase XIAP	polymer	146	16484.3	8	UniProt (P98170) Pfam (PF00653) In PDB	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	A, B, C, D, E...	ZINC ION	non-polymer		65.4	8	Chemie (ZN)
3	A, B, C, D, E...	(3~{S},6~{S},7~{S},9~{a}~{S})-~{N}-[(4-~{tert}-butylphenyl)methyl]-7-(hydroxymethyl)-6-[[(2~{S})-2-(methylamino)butanoyl]amino]-5-oxidanylidene-1,2,3,6,7,8,9,9~{a}-octahydropyrrolo[1,2-a]azepine-3-carboxamide	non-polymer		486.6	8	Chemie (C3T)
4		water	water		18.0	85	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
His 211	-	expression tag
His 212	-	expression tag
His 213	-	expression tag
His 214	-	expression tag
His 215	-	expression tag
His 216	-	expression tag
Ser 217	-	expression tag
Ser 218	-	expression tag
Gly 219	-	expression tag
Leu 220	-	expression tag
Val 221	-	expression tag
Pro 222	-	expression tag
Arg 223	-	expression tag
Gly 224	-	expression tag
Ser 225	-	expression tag
His 226	-	expression tag
Met 227	-	expression tag
Ala 228	-	expression tag
Ser 229	-	expression tag
Met 230	-	expression tag
Thr 231	-	expression tag
Gly 232	-	expression tag
Gly 233	-	expression tag
Gln 234	-	expression tag
Gln 235	-	expression tag
Met 236	-	expression tag
Gly 237	-	expression tag
Arg 238	-	expression tag
Gly 239	-	expression tag
Ser 240	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	131874.5
Non-Polymers*	Number of molecules	16
	Total formula weight	4416.4
All*	Total formula weight	136290.9

*Water molecules are not included.