4TKG

Crystal Structure of human Tankyrase 2 in complex with AZD2281.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Tankyrase-2	polymer	227	25986.3	4	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	E, I, M, P (A, B, C, D)	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
3	F, J, N, Q (A, B, C, D)	4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one	non-polymer		434.5	4	Chemie (09L)
4	G, H, K, L, O (A, B, C)	GLYCEROL	non-polymer		92.1	5	Chemie (GOL)
5	R, S, T, U (A, B, C, D)	water	water		18.0	540	Chemie (HOH)

Sequence modifications

A, B, C, D: 959 - 1164 (UniProt: Q9H2K2)

PDB	External Database	Details
Met 938	-	initiating methionine
Gly 939	-	expression tag
Ser 940	-	expression tag
Ser 941	-	expression tag
His 942	-	expression tag
His 943	-	expression tag
His 944	-	expression tag
His 945	-	expression tag
His 946	-	expression tag
His 947	-	expression tag
Ser 948	-	expression tag
Ser 949	-	expression tag
Gly 950	-	expression tag
Arg 951	-	expression tag
Glu 952	-	expression tag
Asn 953	-	expression tag
Leu 954	-	expression tag
Tyr 955	-	expression tag
Phe 956	-	expression tag
Gln 957	-	expression tag
Gly 958	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	103945.2
Non-Polymers*	Number of molecules	13
	Total formula weight	2460.0
All*	Total formula weight	106405.1

*Water molecules are not included.