4PML

Crystal Structure of human Tankyrase 2 in complex with 3-amino-benzamide.

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, J, R, U (A, B, C, D)	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
3	F, K, Q, V (A, B, C, D)	3-aminobenzamide	non-polymer		136.2	4	Chemie (3AB)
4	G, L, S, W (A, B, C, D)	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
5	H, O, P, X (A, B, D)	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
6	I, N, T (A, B, C)	DIMETHYL SULFOXIDE	non-polymer		78.1	3	Chemie (DMS)
7	M (B)	ISOPROPYL ALCOHOL	non-polymer		60.1	1	Chemie (IPA)
8	AA, BA, Y, Z (C, D, A, B)	water	water		18.0	685	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	20
	Total formula weight	1717.4
All*	Total formula weight	105662.5

*Water molecules are not included.