4TKF

Crystal Structure of human Tankyrase 2 in complex with IWR-1.

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	Tankyrase-2	polymer	227	25986.3	4	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, C, D	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
3	A, B, C, D	4-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide	non-polymer		411.5	4	Chemie (33C)
4	A, C	3-aminobenzamide	non-polymer		136.2	2	Chemie (3AB)
5		water	water		18.0	316	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	10
	Total formula weight	2179.8
All*	Total formula weight	106124.9

*Water molecules are not included.