4OPX

Structure of Human PARP-1 bound to a DNA double strand break in complex with (2R)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D	Poly [ADP-ribose] polymerase 1	polymer	267	30520.1	2	UniProt (P09874) Pfam (PF00645) Pfam (PF21728) Pfam (PF08063) 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	C, F	Poly [ADP-ribose] polymerase 1	polymer	505	57035.0	2	UniProt (P09874) Pfam (PF05406) 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
3	M, N	DNA (26-MER)	polymer	26	7990.1	2
4	A, D	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
5	C	(2R)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide	non-polymer		195.2	1	Chemie (2UR)

Sequence modifications

A, D: 1 - 204 (UniProt: P09874)
A, D: 207 - 366 (UniProt: P09874)

PDB	External Database	Details
Asp 205	-	linker
Ile 206	-	linker
Leu 367	-	expression tag
Glu 368	-	expression tag
His 369	-	expression tag
His 370	-	expression tag
His 371	-	expression tag
His 372	-	expression tag
His 373	-	expression tag
His 374	-	expression tag

C, F: 518 - 1014 (UniProt: P09874)

PDB	External Database	Details
Leu 1015	-	expression tag
Glu 1016	-	expression tag
His 1017	-	expression tag
His 1018	-	expression tag
His 1019	-	expression tag
His 1020	-	expression tag
His 1021	-	expression tag
His 1022	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	191090.4
Non-Polymers*	Number of molecules	5
	Total formula weight	456.8
All*	Total formula weight	191547.2

*Water molecules are not included.