4PJV

Structure of PARP2 catalytic domain bound to inhibitor BMN 673

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 2	polymer	368	41827.9	2	UniProt (Q9UGN5) Pfam (PF02877) Pfam (PF00644) In PDB	Homo sapiens (Human)	hPARP-2,ADP-ribosyltransferase diphtheria toxin-like 2,ARTD2,NAD(+) ADP-ribosyltransferase 2,ADPRT-2,Poly[ADP-ribose] synthase 2,pADPRT-2
2	A, B	(8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one	non-polymer		380.4	2	Chemie (2YQ)
3	A, B	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
4		water	water		18.0	143	Chemie (HOH)

Sequence modifications

A, B: 235 - 579 (UniProt: Q9UGN5)

PDB	External Database	Details
Met 212	-	expression tag
His 213	-	expression tag
His 214	-	expression tag
His 215	-	expression tag
His 216	-	expression tag
His 217	-	expression tag
His 218	-	expression tag
Ser 219	-	expression tag
Ser 220	-	expression tag
Gly 221	-	expression tag
Val 222	-	expression tag
Asp 223	-	expression tag
Leu 224	-	expression tag
Gly 225	-	expression tag
Thr 226	-	expression tag
Glu 227	-	expression tag
Asn 228	-	expression tag
Leu 229	-	expression tag
Tyr 230	-	expression tag
Phe 231	-	expression tag
Gln 232	-	expression tag
Ser 233	-	expression tag
Met 234	-	expression tag
His 447	Pro 447	see remark 999

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	83655.8
Non-Polymers*	Number of molecules	5
	Total formula weight	1037.0
All*	Total formula weight	84692.8

*Water molecules are not included.