4N3R

Co-crystal structure of tankyrase 1 with compound 2 (5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide)

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)	5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide	non-polymer		455.5	2	Chemie (2GU)
4	G, H (A, B)	water	water		18.0	162	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	1041.8
All*	Total formula weight	51124.4

*Water molecules are not included.