6GHK

Human PARP1 (ARTD1) - Catalytic domain in complex with inhibitor ME0527

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Poly [ADP-ribose] polymerase 1	polymer	358	40199.9	2	UniProt (P09874) Pfam (PF02877) Pfam (PF00644) In PDB	Homo sapiens (Human)	PARP-1,ADP-ribosyltransferase diphtheria toxin-like 1,ARTD1,NAD(+) ADP-ribosyltransferase 1,ADPRT 1,Poly[ADP-ribose] synthase 1
2	A, B	~{N}-[(1~{R})-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-oxidanylidene-1~{H}-quinazolin-2-yl)propanamide	non-polymer		387.4	2	Chemie (EZ2)
3	A, B	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
4		water	water		18.0	208	Chemie (HOH)

Sequence modifications

A, B: 662 - 1012 (UniProt: P09874)

PDB	External Database	Details
Met 661	-	initiating methionine
Ala 762	Val 762	conflict
Ala 1012	Ser 1012	expression tag
His 1013	-	expression tag
His 1014	-	expression tag
His 1015	-	expression tag
His 1016	-	expression tag
His 1017	-	expression tag
His 1018	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	80399.9
Non-Polymers*	Number of molecules	8
	Total formula weight	1351.2
All*	Total formula weight	81751.1

*Water molecules are not included.