3AV0

Crystal structure of Mre11-Rad50 bound to ATP S

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	DNA double-strand break repair protein mre11	polymer	386	45370.9	1	UniProt (Q58719) Pfam (PF00149) Pfam (PF22226)	Methanocaldococcus jannaschii
2	B (B)	DNA double-strand break repair rad50 ATPase	polymer	371	42389.9	1	UniProt (Q58718) Pfam (PF13476)	Methanocaldococcus jannaschii	Rad50 ABC-ATPase
3	C, I, J, K (A, B)	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
4	D, F, L (A, B)	ISOPROPYL ALCOHOL	non-polymer		60.1	3	Chemie (IPA)
5	E (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
6	G (B)	PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER	non-polymer		523.2	1	Chemie (AGS)
7	H (B)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
8	M, N (A, B)	water	water		18.0	20	Chemie (HOH)

Sequence modifications

A: 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: 1 - 190 (UniProt: Q58718)
B: 825 - 1005 (UniProt: Q58718)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	87760.9
Non-Polymers*	Number of molecules	10
	Total formula weight	1192.3
All*	Total formula weight	88953.1

*Water molecules are not included.