8DSO

Structure of cIAP1, BTK and BCCov

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	B	Tyrosine-protein kinase BTK	polymer	277	32112.8	1	UniProt (Q06187) Pfam (PF07714) In PDB	Homo sapiens (human)	Agammaglobulinemia tyrosine kinase,ATK,B-cell progenitor kinase,BPK,Bruton tyrosine kinase
2	D	Baculoviral IAP repeat-containing protein 2	polymer	99	11318.7	1	UniProt (Q13490) Pfam (PF00653) In PDB	Homo sapiens (human)	Cellular inhibitor of apoptosis 1,C-IAP1,IAP homolog B,Inhibitor of apoptosis protein 2,hIAP2,RING finger protein 48,RING-type E3 ubiquitin transferase BIRC2,TNFR2-TRAF-signaling complex protein 2
3	B	(4S)-4-[2-(2-{4-[(2E)-4-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}-4-oxobut-2-en-1-yl]piperazin-1-yl}ethoxy)acetamido]-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide bound form	non-polymer		1108.4	1	Chemie (TOO)
4	D	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
5		water	water		18.0	72	Chemie (HOH)

Sequence modifications

B: 384 - 659 (UniProt: Q06187)

PDB	External Database	Details
Ser 383	-	expression tag

D: 260 - 352 (UniProt: Q13490)

PDB	External Database	Details
Gly 254	-	expression tag
Ser 255	-	expression tag
Gly 256	-	expression tag
Pro 257	-	expression tag
Gly 258	-	expression tag
Ser 259	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	43431.5
Non-Polymers*	Number of molecules	2
	Total formula weight	1173.8
All*	Total formula weight	44605.3

*Water molecules are not included.