4I9I

Crystal structure of tankyrase 1 with compound 4

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	217	25041.3	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	N-(2-methoxyphenyl)-4-{[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]amino}benzamide	non-polymer		442.5	4	Chemie (1DY)
4		water	water		18.0	174	Chemie (HOH)

Sequence modifications

A, B, C, D: 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	4
	Total formula weight	100165.3
Non-Polymers*	Number of molecules	8
	Total formula weight	2031.5
All*	Total formula weight	102196.8

*Water molecules are not included.