8RB1

The crystal structure of DNA-bound human MutSbeta (MSH2_K675R/MSH3_K902R) in the canonical mismatch bound conformation with ADP bound in MSH2 and MSH3

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 mismatch repair protein Msh2	polymer	934	104889.9	1	UniProt (P43246) Pfam (PF01624) Pfam (PF05188) Pfam (PF05192) Pfam (PF05190) Pfam (PF00488)	Homo sapiens (human)
2	B (B)	DNA mismatch repair protein Msh3	polymer	918	104317.7	1	UniProt (P20585) Pfam (PF01624) Pfam (PF05188) Pfam (PF05192) Pfam (PF00488)	Homo sapiens (human)
3	C (C)	DNA (5'-D(*TP*CP*TP*AP*TP*CP*TP*GP*AP*AP*GP*CP*CP*GP*AP*TP*CP*GP*AP*TP*GP*G)-3')	polymer	24	7345.7	1		synthetic construct
4	D (D)	DNA (5'-D(*TP*CP*AP*TP*CP*GP*AP*TP*CP*GP*CP*AP*GP*CP*TP*TP*CP*AP*GP*AP*TP*AP*GP*G)-3')	polymer	24	7369.8	1		synthetic construct
5	E, O (A, B)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	2	Chemie (ADP)
6	F, P (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
7	G, H, I, M, N... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	10	Chemie (EDO)
8	J, K, L, Q (A, B)	ACETATE ION	non-polymer		59.0	4	Chemie (ACT)
9	V (B)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
10	AA, X, Y, Z (D, A, B, C)	water	water		18.0	627	Chemie (HOH)

Sequence modifications

A: 1 - 934 (UniProt: P43246)

PDB	External Database	Details
Arg 675	Lys 675	engineered mutation

B: 219 - 1134 (UniProt: P20585)

PDB	External Database	Details
Gly 217	-	expression tag
Pro 218	-	expression tag
Arg 902	Lys 902	engineered mutation
Arg 949	Gln 949	conflict

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	223923.1
Non-Polymers*	Number of molecules	19
	Total formula weight	1795.3
All*	Total formula weight	225718.4

*Water molecules are not included.