3F7G

Structure of the BIR domain from ML-IAP bound to a peptidomimetic

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 7	polymer	140	15765.4	5	UniProt (Q96CA5) Pfam (PF00653) In PDB	Homo sapiens (Human)	Kidney inhibitor of apoptosis protein, KIAP, Melanoma inhibitor of apoptosis protein, ML-IAP, Livin, RING finger protein 50
2	A, B, C, D, E	ZINC ION	non-polymer		65.4	5	Chemie (ZN)
3	D	3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL	non-polymer		326.4	1	Chemie (P33)
4	E	L-alanyl-L-valyl-N-(2,2-diphenylethyl)-L-prolinamide	non-polymer		464.6	1	Chemie (389)
5		water	water		18.0	270	Chemie (HOH)

Sequence modifications

A, B, C, D, E: 63 - 179 (UniProt: Q96CA5)

PDB	External Database	Details
Met 40	-	expression tag
Gly 41	-	expression tag
Ser 42	-	expression tag
Ser 43	-	expression tag
His 44	-	expression tag
His 45	-	expression tag
His 46	-	expression tag
His 47	-	expression tag
His 48	-	expression tag
His 49	-	expression tag
Ser 50	-	expression tag
Ser 51	-	expression tag
Gly 52	-	expression tag
Glu 53	-	expression tag
Val 54	-	expression tag
Pro 55	-	expression tag
Arg 56	-	expression tag
Gly 57	-	expression tag
Ser 58	-	expression tag
His 59	-	expression tag
Met 60	-	expression tag
Leu 61	-	expression tag
Glu 62	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	78826.8
Non-Polymers*	Number of molecules	7
	Total formula weight	1118.0
All*	Total formula weight	79944.9

*Water molecules are not included.