4UW1

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, B, C, D, E... (A, B, C, D, E...)	TANKYRASE-1	polymer	258	29417.1	8	UniProt (O95271) Pfam (PF00644)	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, TANK1, ADP-RIBOSYLTRA NSFERASE DIPHTHERIA TOXIN-LIKE 5, ARTD 5, POLY ADP-RIBOSE POLYMERA SE 5A, TNKS-1, TRF1-INTERACTING ANKYRIN -RELATED ADP-RIBOSE POLYME RASE, TANKYRASE I
2	CA, I, M, O, S... (H, A, B, C, D...)	ZINC ION	non-polymer		65.4	8	Chemie (ZN)
3	J, P, T (A, C, D)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
4	AA, K, Q (G, A, C)	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
5	BA, DA, L, N, R... (G, H, A, B, C...)	3-{4-[(dimethylamino)methyl]phenyl}-5-methoxyisoquinolin-1(2H)-one	non-polymer		308.4	8	Chemie (92R)

Sequence modifications

A, B, C, D, E, F, G, H: 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	8
	Total formula weight	235336.7
Non-Polymers*	Number of molecules	22
	Total formula weight	3452.8
All*	Total formula weight	238789.4

*Water molecules are not included.