4N4T

Co-crystal structure of tankyrase 1 with compound 3 [(4S)-3-{4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]phenyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one]

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Tankyrase-1	polymer	217	25041.3	2	UniProt (Q6PFX9) Pfam (PF00644) In PDB	Mus musculus (mouse)	TANK1, ADP-ribosyltransferase diphtheria toxin-like 5, ARTD5, TRF1-interacting ankyrin-related ADP-ribose polymerase 1, Tankyrase I
2	A, B	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3	A, B	(4S)-3-{4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]phenyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one	non-polymer		437.5	2	Chemie (2GV)
4		water	water		18.0	141	Chemie (HOH)

Sequence modifications

A, B: 1104 - 1314 (UniProt: Q6PFX9)

PDB	External Database	Details
His 1315	-	expression tag
His 1316	-	expression tag
His 1317	-	expression tag
His 1318	-	expression tag
His 1319	-	expression tag
His 1320	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	50082.7
Non-Polymers*	Number of molecules	4
	Total formula weight	1005.8
All*	Total formula weight	51088.5

*Water molecules are not included.