4XUJ

Nucleosome core particle containing adducts from treatment with a thiomorpholine-substituted [(eta-6-p-cymene)Ru(3-hydroxy-2-pyridone)Cl] compound

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, E	Histone H3.2	polymer	135	15303.9	2	UniProt (P84233) Pfam (PF00125) In PDB	Xenopus laevis (African clawed frog)
2	B, F	Histone H4	polymer	102	11263.2	2	UniProt (P62799) Pfam (PF15511) In PDB	Xenopus laevis (African clawed frog)
3	C, G	Histone H2A	polymer	128	13907.2	2	UniProt (Q6AZJ8) Pfam (PF00125) Pfam (PF16211) UniProt (by SIFTS) (P06897) In PDB	Xenopus laevis (African clawed frog)
4	D, H	Histone H2B 1.1	polymer	125	13848.1	2	UniProt (P02281) Pfam (PF00125) In PDB	Xenopus laevis (African clawed frog)	H2B1.1
5	I	DNA (145-MER)	polymer	145	44749.7	1		synthetic construct
6	J	DNA (145-MER)	polymer	145	44740.6	1		synthetic construct
7	C, G, H	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
8	D, H	[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)benzene]ruthenium	non-polymer		235.3	3	Chemie (4A6)
9	E	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
10		water	water		18.0	1	Chemie (HOH)

Sequence modifications

A, E: 1 - 135 (UniProt: P84233)

PDB	External Database	Details
Ala 102	Gly 103	variant

D, H: -2 - 122 (UniProt: P02281)

PDB	External Database	Details
Thr 29	Ser 33	variant

Contents of the asymmetric unit

Polymers	Number of chains	10
	Total formula weight	198135.2
Non-Polymers*	Number of molecules	7
	Total formula weight	1018.4
All*	Total formula weight	199153.5

*Water molecules are not included.