1NNE

Crystal Structure of the MutS-ADPBeF3-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)	5'-D(*GP*CP*GP*AP*CP*GP*CP*TP*AP*GP*CP*GP*TP*GP*CP*GP*GP*CP*TP*CP*GP*TP*C)-3'	polymer	23	7074.5	1
2	B (D)	5'-D(P*GP*GP*AP*CP*GP*AP*GP*CP*CP*GP*CP*CP*GP*CP*TP*AP*GP*CP*GP*TP*CP*G)-3'	polymer	22	6779.4	1
3	C, D (A, B)	DNA Mismatch Repair protein MutS	polymer	765	85776.5	2	UniProt (Q56215) Pfam (PF01624) Pfam (PF05188) Pfam (PF05192) Pfam (PF05190) Pfam (PF00488)	Thermus aquaticus
4	E, H (A, B)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
5	F, I (A, B)	BERYLLIUM TRIFLUORIDE ION	non-polymer		66.0	2	Chemie (BEF)
6	G, J (A, B)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	2	Chemie (ADP)
7	K (B)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
8	L, M, N, O (C, D, A, B)	water	water		18.0	99	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	185406.8
Non-Polymers*	Number of molecules	7
	Total formula weight	1240.6
All*	Total formula weight	186647.5

*Water molecules are not included.