5ETY

Crystal Structure of human Tankyrase-1 bound to K-756

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	257	29289.0	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	A, B, C, D	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
3	A, B, C, D	3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one	non-polymer		433.5	4	Chemie (K56)
4		water	water		18.0	74	Chemie (HOH)

Sequence modifications

A, B, C, D: 1091 - 1324 (UniProt: O95271)

PDB	External Database	Details
Met 1068	-	initiating methionine
His 1069	-	expression tag
His 1070	-	expression tag
His 1071	-	expression tag
His 1072	-	expression tag
His 1073	-	expression tag
His 1074	-	expression tag
Ser 1075	-	expression tag
Ser 1076	-	expression tag
Gly 1077	-	expression tag
Val 1078	-	expression tag
Asp 1079	-	expression tag
Leu 1080	-	expression tag
Gly 1081	-	expression tag
Thr 1082	-	expression tag
Glu 1083	-	expression tag
Asn 1084	-	expression tag
Leu 1085	-	expression tag
Tyr 1086	-	expression tag
Phe 1087	-	expression tag
Gln 1088	-	expression tag
Ser 1089	-	expression tag
Met 1090	-	expression tag
Ile 1266	Met 1266	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	117155.8
Non-Polymers*	Number of molecules	8
	Total formula weight	1995.6
All*	Total formula weight	119151.5

*Water molecules are not included.