5NUT

Crystal structure of TNKS2 in complex with 2-[4-(propan-2-yloxy)phenyl]-3,4-dihydroquinazolin-4-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	Tankyrase-2	polymer	240	27299.8	2	UniProt (Q9H2K2) Pfam (PF00644) In PDB	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	A, B	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
3	A, B	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	A, B	2-(4-propan-2-yloxyphenyl)-3~{H}-quinazolin-4-one	non-polymer		280.3	2	Chemie (9A8)
5	A, B	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
6		water	water		18.0	295	Chemie (HOH)

Sequence modifications

A, B: 952 - 1162 (UniProt: Q9H2K2)

PDB	External Database	Details
Met 923	-	initiating methionine
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
Leu 946	-	expression tag
Asn 947	-	expression tag
Thr 948	-	expression tag
Ser 949	-	expression tag
Gly 950	-	expression tag
Ser 951	-	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	1352.0
All*	Total formula weight	55951.5

*Water molecules are not included.