5F3W

Structure of the ATPrS-Mre11/Rad50-DNA complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C	DNA double-strand break repair protein Mre11	polymer	386	45370.9	2	UniProt (Q58719) Pfam (PF00149) In PDB	Methanocaldococcus jannaschii DSM 2661
2	B, D	DNA double-strand break repair Rad50 ATPase,DNA double-strand break repair Rad50 ATPase	polymer	372	42521.1	2	UniProt (Q58718) Pfam (PF13476) In PDB	Methanocaldococcus jannaschii DSM 2661
3	E	27-MER DNA	polymer	27	8364.4	1		synthetic construct
4	F	27-MER DNA	polymer	27	8226.3	1		synthetic construct
5	A, C	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
6	B, D	PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER	non-polymer		523.2	2	Chemie (AGS)
7		water	water		18.0	2	Chemie (HOH)

Sequence modifications

A, C: 1 - 366 (UniProt: Q58719)

PDB	External Database	Details
Met -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

B, D: 1 - 190 (UniProt: Q58718)
B, D: 825 - 1005 (UniProt: Q58718)

PDB	External Database	Details
Met 824	-	linker

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	192374.8
Non-Polymers*	Number of molecules	6
	Total formula weight	1143.7
All*	Total formula weight	193518.6

*Water molecules are not included.