4UUH

X-ray crystal structure of human TNKS in complex with a small molecule inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	TANKYRASE-1	polymer	258	29417.1	1	UniProt (O95271) Pfam (PF00644) In PDB	HOMO SAPIENS (HUMAN)	TANK1, ADP-RIBOSYLTRANSFERASE DIPHTHERIA TOXIN-LIKE 5, ARTD 5, POLY ADP-RIBOSE POLYMERASE 5A, TNKS-1, TRF1-INTERACTING ANKYRIN -RELATED ADP-RIBOSE POLYMERASE, TANKYRASE I
2	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
3	A	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
4	A	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
5	A	5-methyl-3-[4-(piperazin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one	non-polymer		333.4	1	Chemie (T40)
6		water	water		18.0	101	Chemie (HOH)

Sequence modifications

A: 1091 - 1325 (UniProt: O95271)

PDB	External Database	Details
Met 1068	-	expression tag
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	variant

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	29417.1
Non-Polymers*	Number of molecules	10
	Total formula weight	1015.5
All*	Total formula weight	30432.6

*Water molecules are not included.