1I3O

CRYSTAL STRUCTURE OF THE COMPLEX OF XIAP-BIR2 AND CASPASE 3

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C	CASPASE 3	polymer	175	19727.3	2	UniProt (P42574) Pfam (PF00656) In PDB	Homo sapiens (human)
2	B, D	CASPASE 3	polymer	110	12981.8	2	UniProt (P42574) Pfam (PF00656) In PDB	Homo sapiens (human)
3	E, F	BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 4	polymer	121	13993.6	2	UniProt (P98170) Pfam (PF00653) In PDB	Homo sapiens (human)	X-LINKED IAP
4	E, F	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
5		water	water		18.0	13	Chemie (HOH)

Sequence modifications

A, C: 117 - 297 (UniProt: P42574)

PDB	External Database	Details
Ala 285	Cys 163	engineered mutation

B, D: 310 - 402 (UniProt: P42574)

PDB	External Database	Details
Leu 403	-	expression tag
Glu 404	-	expression tag
His 405	-	expression tag
His 406	-	expression tag
His 407	-	expression tag
His 408	-	expression tag
His 409	-	expression tag
His 410	-	expression tag

E, F: 124 - 240 (UniProt: P98170)

PDB	External Database	Details
Gly 120	-	cloning artifact
Ser 121	-	cloning artifact
His 122	-	cloning artifact
Met 123	-	cloning artifact
Ala 202	Cys 202	engineered mutation
Gly 213	Cys 213	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	93405.2
Non-Polymers*	Number of molecules	2
	Total formula weight	130.8
All*	Total formula weight	93536.0

*Water molecules are not included.