4WVT

Crystal structure of XIAP-BIR2 domain complexed with ligand bound

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)	E3 ubiquitin-protein ligase XIAP	polymer	98	11359.6	2	UniProt (P98170) Pfam (PF00653)	Homo sapiens (Human)	Baculoviral IAP repeat-containing protein 4,IAP-like protein,hILP,Inhibitor of apoptosis protein 3,hIAP3,X-linked inhibitor of apoptosis protein,X-linked IAP
2	C, D (C, D)	3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM	polymer	6	780.9	2	BIRD (PRD_002133)
3	E, F (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	G, H, I, J (A, B, C, D)	water	water		18.0	165	Chemie (HOH)

Sequence modifications

A, B: 156 - 231 (UniProt: P98170)

PDB	External Database	Details
Met -22	-	initiating methionine
Gly -21	-	expression tag
Ser -20	-	expression tag
Ser -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
Ser -12	-	expression tag
Ser -11	-	expression tag
Gly -10	-	expression tag
Glu -9	-	expression tag
Thr -8	-	expression tag
Val -7	-	expression tag
Arg -6	-	expression tag
Phe -5	-	expression tag
Gln -4	-	expression tag
Gly -3	-	expression tag
His -2	-	expression tag
Met -1	-	expression tag
Ala 202	Cys 202	engineered mutation
Gly 213	Cys 213	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	24281.1
Non-Polymers*	Number of molecules	2
	Total formula weight	130.8
All*	Total formula weight	24411.9

*Water molecules are not included.