7S68

Structure of human PARP1 domains (Zn1, Zn3, WGR and HD) bound to a DNA double strand break.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (M, N)	DNA (5'-D(*GP*CP*CP*TP*GP*CP*AP*GP*GP*C)-3')	polymer	10	3046.0	2		DNA molecule
2	C (B)	Poly [ADP-ribose] polymerase 1	polymer	266	29813.7	1	UniProt (P09874) Pfam (PF05406) Pfam (PF02877)	Homo sapiens (Human)	PARP-1,ADP-ribosyltransferase diphtheria toxin-like 1,ARTD1,DNA ADP-ribosyltransferase PARP1,NAD(+) ADP-ribosyltransferase 1,ADPRT 1,Poly[ADP-ribose] synthase 1,Protein poly-ADP-ribosyltransferase PARP1
3	D (A)	Fusion of PARP1 zinc fingers 1 and 3 (Zn1, Zn3)	polymer	276	31262.8	1	UniProt (P09874) Pfam (PF00645) Pfam (PF21728) Pfam (PF08063)	Homo sapiens (Human)	Poly [ADP-ribose] polymerase 1,PARP-1,ADP-ribosyltransferase diphtheria toxin-like 1,ARTD1,DNA ADP-ribosyltransferase PARP1,NAD(+) ADP-ribosyltransferase 1,ADPRT 1,Poly[ADP-ribose] synthase 1,Protein poly-ADP-ribosyltransferase PARP1
4	E, F (A)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)

Sequence modifications

B: 527 - 786 (UniProt: P09874)

PDB	External Database	Details
Met 507	-	initiating methionine
Gly 508	-	expression tag
Ser 509	-	expression tag
Ser 510	-	expression tag
His 511	-	expression tag
His 512	-	expression tag
His 513	-	expression tag
His 514	-	expression tag
His 515	-	expression tag
His 516	-	expression tag
Ser 517	-	expression tag
Ser 518	-	expression tag
Gly 519	-	expression tag
Leu 520	-	expression tag
Val 521	-	expression tag
Pro 522	-	expression tag
Arg 523	-	expression tag
Gly 524	-	expression tag
Ser 525	-	expression tag
His 526	-	expression tag
-	Ser 663	deletion
-	Lys 664	deletion
-	Leu 665	deletion
-	Pro 666	deletion
-	Lys 667	deletion
-	Pro 668	deletion
-	Val 669	deletion
-	Gln 670	deletion
-	Asp 671	deletion
-	Leu 672	deletion
-	Ile 673	deletion
-	Lys 674	deletion
-	Met 675	deletion
-	Ile 676	deletion
Ala 762	Val 762	variant

A: 1 - 205 (UniProt: P09874)

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

A: 206 - 366 (UniProt: P09874)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	67168.5
Non-Polymers*	Number of molecules	2
	Total formula weight	130.8
All*	Total formula weight	67299.3

*Water molecules are not included.