3KCZ

Human poly(ADP-ribose) polymerase 2, catalytic fragment in complex with an inhibitor 3-aminobenzamide

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)	PARP-2, NAD(+) ADP-ribosyltransferase 2, Poly[ADP-ribose] synthetase 2, pADPRT-2, hPARP-2
2	A, B	3-aminobenzamide	non-polymer		136.2	2	Chemie (3AB)
3	A, B	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
4		water	water		18.0	387	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	4
	Total formula weight	456.5
All*	Total formula weight	84112.3

*Water molecules are not included.