8ADJ

Poly(ADP-ribose) glycohydrolase (PARG) from Drosophila melanogaster in complex with PARG inhibitor PDD00017272

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	Poly(ADP-ribose) glycohydrolase	polymer	578	65993.6	3	UniProt (O46043) Pfam (PF20811) Pfam (PF05028) In PDB	Drosophila melanogaster (fruit fly)
2	A, B, C	1-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide	non-polymer		514.6	3	Chemie (LQX)
3	A, B, C	GLYCEROL	non-polymer		92.1	5	Chemie (GOL)
4	A, B, C	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
5	A, B, C	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
6		water	water		18.0	200	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 558 (UniProt: O46043)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	197980.9
Non-Polymers*	Number of molecules	17
	Total formula weight	2687.1
All*	Total formula weight	200668.0

*Water molecules are not included.