8RB2

The crystal structure of DNA-bound human MutSbeta (MSH2_E749A/MSH3_E976A) 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, E (A, E)	DNA mismatch repair protein Msh2	polymer	934	104803.8	2	UniProt (P43246)	Homo sapiens (human)
2	B, F (B, F)	DNA mismatch repair protein Msh3	polymer	1137	127576.7	2	UniProt (P20585)	Homo sapiens (human)
3	C, G (C, G)	DNA (5'-D(P*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	2		synthetic construct
4	D, H (D, H)	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	2		synthetic construct
5	HA, I (E, A)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	2	Chemie (ADP)
6	CA, DA, GA, J, K... (B, D, A, E, F)	CHLORIDE ION	non-polymer		35.5	17	Chemie (CL)
7	N, O, P, SA, YA (A, E, F)	SODIUM ION	non-polymer		23.0	5	Chemie (NA)
8	T (B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
9	AB, BA, EA, FA, IA... (H, B, E, F, G)	1,2-ETHANEDIOL	non-polymer		62.1	19	Chemie (EDO)
10	AA (B)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
11	BB, CB, DB, EB, FB... (A, B, C, D, E...)	water	water		18.0	330	Chemie (HOH)

Sequence modifications

A, E: 1 - 934 (UniProt: P43246)

PDB	External Database	Details
Ala 749	Glu 749	engineered mutation

B, F: 1 - 1137 (UniProt: P20585)

PDB	External Database	Details
Val 79	Ile 79	conflict
Arg 949	Gln 949	conflict
Ala 976	Glu 976	engineered mutation
Thr 1045	Ala 1045	conflict

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	494192.0
Non-Polymers*	Number of molecules	45
	Total formula weight	2949.6
All*	Total formula weight	497141.6

*Water molecules are not included.