8RB0

The crystal structure of DNA-bound human MutSbeta (MSH2_E749A/MSH3) in the canonical mismatch bound conformation with ADP bound in MSH2

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	104803.8	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	104289.7	1	UniProt (P20585) Pfam (PF01624) Pfam (PF05188) Pfam (PF05192) Pfam (PF00488)	Homo sapiens (human)
3	C (C)	DNA (5'-D(P*AP*TP*CP*TP*GP*AP*AP*GP*CP*CP*GP*AP*TP*CP*GP*AP*TP*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*G)-3')	polymer	24	7369.8	1		synthetic construct
5	E (A)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	1	Chemie (ADP)
6	F (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
7	G (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
8	H, I (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
9	J, K, L, M (A, B, C, D)	water	water		18.0	77	Chemie (HOH)

Sequence modifications

A: 1 - 934 (UniProt: P43246)

PDB	External Database	Details
Ala 749	Glu 749	engineered mutation

B: 219 - 1134 (UniProt: P20585)

PDB	External Database	Details
Gly 217	-	expression tag
Pro 218	-	expression tag
Arg 949	Gln 949	conflict

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	223809.0
Non-Polymers*	Number of molecules	5
	Total formula weight	611.1
All*	Total formula weight	224420.1

*Water molecules are not included.