3GEY

Crystal structure of human poly(ADP-ribose) polymerase 15, catalytic fragment in complex with an inhibitor Pj34

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 15	polymer	221	25439.5	4	UniProt (Q460N3) Pfam (PF00644)	Homo sapiens (Human)	PARP-15, B-aggressive lymphoma protein 3
2	E, F (A, B)	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	non-polymer		295.3	2	Chemie (P34)
3	G, H, I, J (A, B, C, D)	water	water		18.0	27	Chemie (HOH)

Sequence modifications

A, B, C, D: 459 - 656 (UniProt: Q460N3)

PDB	External Database	Details
Met 436	-	expression tag
His 437	-	expression tag
His 438	-	expression tag
His 439	-	expression tag
His 440	-	expression tag
His 441	-	expression tag
His 442	-	expression tag
Ser 443	-	expression tag
Ser 444	-	expression tag
Gly 445	-	expression tag
Val 446	-	expression tag
Asp 447	-	expression tag
Leu 448	-	expression tag
Gly 449	-	expression tag
Thr 450	-	expression tag
Glu 451	-	expression tag
Asn 452	-	expression tag
Leu 453	-	expression tag
Tyr 454	-	expression tag
Phe 455	-	expression tag
Gln 456	-	expression tag
Ser 457	-	expression tag
Met 458	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	101757.8
Non-Polymers*	Number of molecules	2
	Total formula weight	590.7
All*	Total formula weight	102348.5

*Water molecules are not included.