4TOR

Crystal structure of Tankyrase 1 with IWR-8

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-1	polymer	236	26871.4	4	UniProt (O95271) Pfam (PF00644) In PDB	Homo sapiens (Human)	TANK1,ADP-ribosyltransferase diphtheria toxin-like 5,ARTD5,Poly [ADP-ribose] polymerase 5A,TNKS-1,TRF1-interacting ankyrin-related ADP-ribose polymerase,Tankyrase I
2	D, A, B, C	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
3	D, A, B, C	1-[(1-acetyl-5-bromo-1H-indol-6-yl)sulfonyl]-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide	non-polymer		546.5	4	Chemie (IW8)
4	C, D, A, B	CHLORIDE ION	non-polymer		35.5	23	Chemie (CL)
5		water	water		18.0	824	Chemie (HOH)

Sequence modifications

A, B, C, D: 1105 - 1315 (UniProt: O95271)

PDB	External Database	Details
Met 1080	-	initiating methionine
Gly 1081	-	expression tag
Ser 1082	-	expression tag
Ser 1083	-	expression tag
His 1084	-	expression tag
His 1085	-	expression tag
His 1086	-	expression tag
His 1087	-	expression tag
His 1088	-	expression tag
His 1089	-	expression tag
Ser 1090	-	expression tag
Ser 1091	-	expression tag
Gly 1092	-	expression tag
Leu 1093	-	expression tag
Glu 1094	-	expression tag
Val 1095	-	expression tag
Leu 1096	-	expression tag
Phe 1097	-	expression tag
Gln 1098	-	expression tag
Gly 1099	-	expression tag
Pro 1100	-	expression tag
His 1101	-	expression tag
Met 1102	-	expression tag
Ala 1103	-	expression tag
Ser 1104	-	expression tag
Ile 1266	Met 1266	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	107485.6
Non-Polymers*	Number of molecules	31
	Total formula weight	3263.0
All*	Total formula weight	110748.5

*Water molecules are not included.