4K4E

Co-crystal structure of tnks1 with compound 52 [N~2-(5-chloro-2-methoxyphenyl)-N-[trans-4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)cyclohexyl]glycinamide]

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Tankyrase-1	polymer	217	25041.3	2	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	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3	A, B	N~2~-(5-chloro-2-methoxyphenyl)-N-[trans-4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)cyclohexyl]glycinamide	non-polymer		428.9	2	Chemie (K4E)
4		water	water		18.0	107	Chemie (HOH)

Sequence modifications

A, B: 1104 - 1314 (UniProt: O95271)

PDB	External Database	Details
His 1315	-	expression tag
His 1316	-	expression tag
His 1317	-	expression tag
His 1318	-	expression tag
His 1319	-	expression tag
His 1320	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	50082.7
Non-Polymers*	Number of molecules	4
	Total formula weight	988.6
All*	Total formula weight	51071.3

*Water molecules are not included.