3UA9

Crystal structure of human tankyrase 2 in complex with a selective inhibitor

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-2	polymer	240	27299.8	2	UniProt (Q9H2K2) Pfam (PF00644) In PDB	Homo sapiens (human)	TANK2, Poly [ADP-ribose] polymerase 5B, TNKS-2, TRF1-interacting ankyrin-related ADP-ribose polymerase 2, Tankyrase II, Tankyrase-like protein, Tankyrase-related protein
2	A, B	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3	A, B	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
4	A, B	4-[(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide	non-polymer		409.4	2	Chemie (IWR)
5	A, B	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
6		water	water		18.0	86	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	10
	Total formula weight	1546.2
All*	Total formula weight	56145.7

*Water molecules are not included.