5J42

Crystal structure of m2hTDP2-CAT in complex with a small molecule inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Tyrosyl-DNA phosphodiesterase 2	polymer	256	28776.2	2	UniProt (Q9JJX7) Pfam (PF03372) In PDB	Mus musculus (House Mouse)	m2hTDP2-CAT, Tyr-DNA phosphodiesterase 2,5'-tyrosyl-DNA phosphodiesterase,5'-Tyr-DNA phosphodiesterase,TRAF and TNF receptor-associated protein
2	A, B	10-(4-hydroxyphenyl)-2,4-dioxo-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile	non-polymer		330.3	2	Chemie (6FV)
3	A, B	L(+)-TARTARIC ACID	non-polymer		150.1	6	Chemie (TLA)
4	A, B	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
5	A, B	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
6	A, B	MANGANESE (II) ION	non-polymer		54.9	2	Chemie (MN)
7		water	water		18.0	693	Chemie (HOH)

Sequence modifications

A, B: 118 - 370 (UniProt: Q9JJX7)

PDB	External Database	Details
Ser 115	-	expression tag
Asn 116	-	expression tag
Ala 117	-	expression tag
Gly 242	Glu 242	engineered mutation
Arg 278	Gln 278	engineered mutation
Cys 321	Tyr 321	engineered mutation
Leu 323	His 323	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	57552.3
Non-Polymers*	Number of molecules	14
	Total formula weight	1979.3
All*	Total formula weight	59531.6

*Water molecules are not included.