8R7C

MutSbeta bound to compound CHDI-00915542 in the canonical DNA-mismatch bound form

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	930	104431.4	2	UniProt (P43246) Pfam (PF01624) Pfam (PF05188) Pfam (PF05192) Pfam (PF05190) Pfam (PF00488)	Homo sapiens (human)
2	B, F (B, F)	DNA mismatch repair protein Msh3	polymer	918	104289.7	2	UniProt (P20585) Pfam (PF01624) Pfam (PF05188) Pfam (PF05192) Pfam (PF00488)	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		Homo sapiens
4	D (D)	DNA (5'-D(*CP*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	7354.8	1		Homo sapiens
5	H (H)	DNA (5'-D(P*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		Homo sapiens
6	I, O (A, E)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	2	Chemie (ADP)
7	J (A)	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
8	K, P (B, F)	~{N}-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)pteridin-4-amine	non-polymer		369.9	2	Chemie (YKW)
9	L, R, T (B, F)	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
10	M, N, Q, S (B, F)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
11	U, V, W, X, Y (A, B, E, F, H)	water	water		18.0	69	Chemie (HOH)

Sequence modifications

B, F: 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	8
	Total formula weight	446858.0
Non-Polymers*	Number of molecules	12
	Total formula weight	2234.9
All*	Total formula weight	449092.9

*Water molecules are not included.