9IFV

PARP15 catalytic domain mutant (R576E) in complex with 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 (A, B)	Protein mono-ADP-ribosyltransferase PARP15	polymer	221	25411.4	2	UniProt (Q460N3) Pfam (PF00644)	Homo sapiens (human)	ADP-ribosyltransferase diphtheria toxin-like 7,ARTD7,B-aggressive lymphoma protein 3,Poly [ADP-ribose] polymerase 15,PARP-15
2	C, D (A, B)	3-aminobenzamide	non-polymer		136.2	2	Chemie (3AB)
3	E, F (A, B)	water	water		18.0	217	Chemie (HOH)

Sequence modifications

A, B: 481 - 678 (UniProt: Q460N3)

PDB	External Database	Details
Met 458	-	initiating methionine
His 459	-	expression tag
His 460	-	expression tag
His 461	-	expression tag
His 462	-	expression tag
His 463	-	expression tag
His 464	-	expression tag
Ser 465	-	expression tag
Ser 466	-	expression tag
Gly 467	-	expression tag
Val 468	-	expression tag
Asp 469	-	expression tag
Leu 470	-	expression tag
Gly 471	-	expression tag
Thr 472	-	expression tag
Glu 473	-	expression tag
Asn 474	-	expression tag
Leu 475	-	expression tag
Tyr 476	-	expression tag
Phe 477	-	expression tag
Gln 478	-	expression tag
Ser 479	-	expression tag
Met 480	-	expression tag
Glu 576	Arg 576	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	50822.8
Non-Polymers*	Number of molecules	2
	Total formula weight	272.3
All*	Total formula weight	51095.1

*Water molecules are not included.