4MU7

Crystal structure of cIAP1 BIR3 bound to T3450325

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 protein 2	polymer	115	13294.8	2	UniProt (Q13490) Pfam (PF00653)	Homo sapiens (human)	C-IAP1, IAP homolog B, Inhibitor of apoptosis protein 2, IAP-2, hIAP-2, hIAP2, RING finger protein 48, TNFR2-TRAF-signaling complex protein 2
2	C, E (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3	D, F (A, B)	(3S,10aS)-2-[(2S)-2-cyclohexyl-2-{[(2S)-2-(methylamino)butanoyl]amino}acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-3-carboxamide	non-polymer		587.8	2	Chemie (2DY)
4	G, H (A, B)	water	water		18.0	133	Chemie (HOH)

Sequence modifications

A, B: 254 - 346 (UniProt: Q13490)

PDB	External Database	Details
Met 232	-	expression tag
Gly 233	-	expression tag
Ser 234	-	expression tag
Ser 235	-	expression tag
His 236	-	expression tag
His 237	-	expression tag
His 238	-	expression tag
His 239	-	expression tag
His 240	-	expression tag
His 241	-	expression tag
Ser 242	-	expression tag
Ser 243	-	expression tag
Gly 244	-	expression tag
Glu 245	-	expression tag
Asn 246	-	expression tag
Leu 247	-	expression tag
Tyr 248	-	expression tag
Phe 249	-	expression tag
Gln 250	-	expression tag
Gly 251	-	expression tag
Gly 252	-	expression tag
Ser 253	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	26589.7
Non-Polymers*	Number of molecules	4
	Total formula weight	1306.3
All*	Total formula weight	27896.0

*Water molecules are not included.