8R7E

MutSbeta bound to compound CHDI-00898647 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	104260.6	2	UniProt (P20585) Pfam (PF01624) Pfam (PF05188) Pfam (PF05192) Pfam (PF00488)	Homo sapiens (human)
3	C, G (C, G)	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	2		Homo sapiens
4	D, H (D, H)	DNA (5'-D(*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		Homo sapiens
5	I, S (A, E)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	2	Chemie (ADP)
6	AA, J, O, R, V (F, A, B, E)	1,2-ETHANEDIOL	non-polymer		62.1	5	Chemie (EDO)
7	K, Q, T, U, W (A, B, E)	CHLORIDE ION	non-polymer		35.5	5	Chemie (CL)
8	L, X (B, F)	Abivertinib	non-polymer		487.5	2	Chemie (YKQ)
9	M, N, P, Y, Z (B, F)	SULFATE ION	non-polymer		96.1	5	Chemie (SO4)
10	BA, CA, DA, EA, FA... (A, B, E, F, G...)	water	water		18.0	117	Chemie (HOH)

Sequence modifications

B, F: 219 - 1134 (UniProt: P20585)

PDB	External Database	Details
Gly 217	-	expression tag
Pro 218	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	446814.9
Non-Polymers*	Number of molecules	19
	Total formula weight	2797.4
All*	Total formula weight	449612.3

*Water molecules are not included.