6CA4

Crystal structure of humanized D. rerio TDP2 by 14 mutations

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 (A, B, C)	Tyrosyl-DNA phosphodiesterase 2	polymer	250	28334.4	3	UniProt (Q5XJA0) Pfam (PF03372)	Danio rerio (Zebrafish)	Tyr-DNA phosphodiesterase 2,5'-tyrosyl-DNA phosphodiesterase,5'-Tyr-DNA phosphodiesterase,TRAF and TNF receptor-associated protein homolog
2	D, M, Q (A, B, C)	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
3	E, F, G, H, I... (A, B, C)	1,2-ETHANEDIOL	non-polymer		62.1	12	Chemie (EDO)
4	P (B)	MALONATE ION	non-polymer		102.0	1	Chemie (MLI)
5	T, U, V (A, B, C)	water	water		18.0	465	Chemie (HOH)

Sequence modifications

A, B, C: 121 - 369 (UniProt: Q5XJA0)

PDB	External Database	Details
Ser 120	-	expression tag
Asn 136	Leu 136	engineered mutation
Ser 139	Ala 139	engineered mutation
Thr 239	Cys 239	engineered mutation
Arg 240	Lys 240	engineered mutation
Gln 309	Lys 309	engineered mutation
Leu 314	Lys 314	engineered mutation
Gly 315	Thr 315	engineered mutation
Ile 316	Val 316	engineered mutation
Thr 317	Pro 317	engineered mutation
Ala 318	Tyr 318	engineered mutation
Ala 319	Val 319	engineered mutation
Cys 320	Ser 320	engineered mutation
Lys 321	Arg 321	engineered mutation
Leu 322	Cys 322	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	85003.3
Non-Polymers*	Number of molecules	16
	Total formula weight	919.8
All*	Total formula weight	85923.1

*Water molecules are not included.