4AV1

Crystal structure of the human PARP-1 DNA binding domain in complex with DNA

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 (A, B, C, D)	POLY [ADP-RIBOSE] POLYMERASE 1	polymer	223	25093.8	4	UniProt (P09874) Pfam (PF00645)	HOMO SAPIENS (HUMAN)	PARP-1, NAD(+) ADP-RIBOSYLTRANSFERASE 1, ADPRT 1, POLY[ADP-RIBOSE] SYNTHASE 1
2	E (X)	5'-D(*AP*AP*GP*TP*GP*TP*TP*GP*CP*AP*TP*TP)-3'	polymer	12	3692.4	1		SYNTHETIC CONSTRUCT
3	F (Y)	5'-D(*TP*AP*AP*TP*GP*CP*AP*AP*CP*AP*CP*TP)-3'	polymer	12	3630.4	1		SYNTHETIC CONSTRUCT
4	G, H, I, J (A, B, C, D)	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
5	K, L, M, N, O... (A, B, C, D, X...)	water	water		18.0	44	Chemie (HOH)

Sequence modifications

A, B, C, D: 5 - 202 (UniProt: P09874)

PDB	External Database	Details
Met -20	-	expression tag
Ala -19	-	expression tag
Ser -18	-	expression tag
Trp -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
Pro -14	-	expression tag
Gln -13	-	expression tag
Phe -12	-	expression tag
Glu -11	-	expression tag
Lys -10	-	expression tag
Gly -9	-	expression tag
Ala -8	-	expression tag
Leu -7	-	expression tag
Glu -6	-	expression tag
Val -5	-	expression tag
Leu -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
Pro 0	-	expression tag
Leu 1	-	expression tag
Gly 2	-	expression tag
Ser 3	-	expression tag
His 4	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	107697.8
Non-Polymers*	Number of molecules	4
	Total formula weight	261.6
All*	Total formula weight	107959.5

*Water molecules are not included.