4N4V

Co-crystal structure of tankyrase 1 with compound 4 [(4S)-3-{trans-4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]cyclohexyl}-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 (A, B)	Tankyrase-1	polymer	217	25041.3	2	UniProt (O95271) Pfam (PF00644)	Homo sapiens (human)	TANK1, ADP-ribosyltransferase diphtheria toxin-like 5, ARTD5, Poly [ADP-ribose] polymerase 5A, TNKS-1, TRF1-interacting ankyrin-related ADP-ribose polymerase, Tankyrase I
2	C, E (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3	D, F (A, B)	(4S)-3-{trans-4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]cyclohexyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one	non-polymer		443.5	2	Chemie (2GY)
4	G, H (A, B)	water	water		18.0	354	Chemie (HOH)

Sequence modifications

A, B: 1104 - 1314 (UniProt: O95271)

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	1017.9
All*	Total formula weight	51100.6

*Water molecules are not included.