3GT9

Structure of an ML-IAP/XIAP chimera 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 (A, B)	Baculoviral IAP repeat-containing 7	polymer	133	14977.6	2	UniProt (Q6R308) Pfam (PF00653) UniProt (by SIFTS) (Q96CA5)	Homo sapiens (Human)
2	C, E (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3	D, F (A, B)	N-{(1S)-1-cyclohexyl-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl}-N~2~-methyl-L-alaninamide	non-polymer		504.7	2	Chemie (516)
4	G, H (A, B)	water	water		18.0	309	Chemie (HOH)

Sequence modifications

A, B: 63 - 172 (UniProt: Q6R308)

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
Gly 150	Ser 150	engineered mutation
Gln 160	Arg 160	engineered mutation
Glu 161	Asp 161	engineered mutation
Tyr 162	Phe 162	engineered mutation
Ile 163	Val 163	engineered mutation
Asn 164	His 164	engineered mutation
Asn 165	Ser 165	engineered mutation
Ile 166	Val 166	engineered mutation
His 167	Gln 167	engineered mutation
Leu 168	Glu 168	engineered mutation
Leu 172	Gln 172	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	29955.1
Non-Polymers*	Number of molecules	4
	Total formula weight	1140.2
All*	Total formula weight	31095.3

*Water molecules are not included.