6GJW

Structure of XIAP-BIR1 domain in complex with an NF023 analog

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	E3 ubiquitin-protein ligase XIAP	polymer	111	12357.7	4	UniProt (P98170) Pfam (PF00653) In PDB	Homo sapiens (Human)	Baculoviral IAP repeat-containing protein 4,IAP-like protein,hILP,Inhibitor of apoptosis protein 3,hIAP3,RING-type E3 ubiquitin transferase XIAP,X-linked inhibitor of apoptosis protein,X-linked IAP
2	A, B, C, D	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
3	C, D	4-[[3-[[3-[(4,8-disulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-1,5-disulfonate	non-polymer		866.8	2	Chemie (F2H)
4		water	water		18.0	171	Chemie (HOH)

Sequence modifications

A, B, C, D: 10 - 99 (UniProt: P98170)

PDB	External Database	Details
Met -11	-	initiating methionine
Gly -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
Ser -1	-	expression tag
Ser 0	-	expression tag
Gly 1	-	expression tag
Leu 2	-	expression tag
Val 3	-	expression tag
Pro 4	-	expression tag
Gln 5	-	expression tag
Gly 6	-	expression tag
Ser 7	-	expression tag
His 8	-	expression tag
Met 9	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	49430.9
Non-Polymers*	Number of molecules	6
	Total formula weight	1995.3
All*	Total formula weight	51426.2

*Water molecules are not included.