3KR8

Human tankyrase 2 - catalytic PARP domain in complex with an inhibitor XAV939

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, C)	Tankyrase-2	polymer	240	27299.8	2	UniProt (Q9H2K2) Pfam (PF00644)	Homo sapiens (human)	TANK2, Tankyrase II, TNKS-2, TRF1-interacting ankyrin-related ADP-ribose polymerase 2, Tankyrase-like protein, Tankyrase-related protein
2	C, H (A, C)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3	D, I (A, C)	2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol	non-polymer		312.3	2	Chemie (XAV)
4	E, F, J, K (A, C)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
5	G, L (A, C)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
6	M, N (A, C)	water	water		18.0	369	Chemie (HOH)

Sequence modifications

A, C: 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	10
	Total formula weight	1323.9
All*	Total formula weight	55923.4

*Water molecules are not included.