4BUE

Crystal structure of human tankyrase 2 in complex with 3-methyl-N-(4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl)butanamide

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-2	polymer	240	27299.8	2	UniProt (Q9H2K2) Pfam (PF00644)	HOMO SAPIENS (HUMAN)	TANK2, ADP-RIBOSYLTRANSFERASE DIPHTHERIA TOXIN-LIKE 6, ARTD6, POLY [ADP-RIBOSE] POLYMERASE 5B, TNKS-2, TRF1-INTERACTING ANKYRIN-RELATED ADP-RIBOSE POLYMERASE 2, TANKYRASE II, TANKYRASE-LIKE PROTEIN, TANKYRASE-RELATED PROTEIN
2	C, I (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3	D, M (A, B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
4	E, F, J, K (A, B)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
5	G, L (A, B)	3-METHYL-N-[4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)PHENYL)BUTANAMIDE	non-polymer		321.4	2	Chemie (JQF)
6	H (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
7	N, O (A, B)	water	water		18.0	368	Chemie (HOH)

Sequence modifications

A, B: 946 - 1162 (UniProt: Q9H2K2)

PDB	External Database	Details
Met 923	-	expression tag
His 924	-	expression tag
His 925	-	expression tag
His 926	-	expression tag
His 927	-	expression tag
His 928	-	expression tag
His 929	-	expression tag
Ser 930	-	expression tag
Ser 931	-	expression tag
Gly 932	-	expression tag
Val 933	-	expression tag
Asp 934	-	expression tag
Leu 935	-	expression tag
Gly 936	-	expression tag
Thr 937	-	expression tag
Glu 938	-	expression tag
Asn 939	-	expression tag
Leu 940	-	expression tag
Tyr 941	-	expression tag
Phe 942	-	expression tag
Gln 943	-	expression tag
Ser 944	-	expression tag
Met 945	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	54599.5
Non-Polymers*	Number of molecules	11
	Total formula weight	1448.1
All*	Total formula weight	56047.7

*Water molecules are not included.