3MNN

A Ruthenium Antitumour Agent Forms Specific Histone Protein Adducts in the Nucleosome Core

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)	Histone H3.2	polymer	135	15303.9	2	UniProt (P84233) Pfam (PF00125)	Xenopus laevis (African clawed frog)
2	B, F (B, F)	Histone H4	polymer	102	11263.2	2	UniProt (P62799) Pfam (PF15511)	Xenopus laevis (African clawed frog)
3	C, G (C, G)	Histone H2A	polymer	119	12941.1	2	UniProt (Q6AZJ8) Pfam (PF00125) Pfam (PF16211) UniProt (by SIFTS) (P06897)	Xenopus laevis (African clawed frog)
4	D, H (D, H)	Histone H2B 1.1	polymer	125	13848.1	2	UniProt (P02281) Pfam (PF00125)	Xenopus laevis (African clawed frog)	H2B1.1
5	I (I)	DNA (145-MER)	polymer	145	44749.7	1
6	J (J)	DNA (145-MER)	polymer	145	44740.6	1
7	K, P, T (D, G, H)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
8	L (E)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
9	M, Q, U (F, G, H)	RUTHENIUM ION	non-polymer		101.1	3	Chemie (RU)
10	N, R, V (F, G, H)	1-methyl-4-(1-methylethyl)benzene	non-polymer		134.2	3	Chemie (MML)
11	O, S, W (F, G, H)	1,3,5-triaza-7-phosphatricyclo[3.3.1.1~3,7~]decane	non-polymer		157.2	3	Chemie (PTW)
12	AA, BA, CA, DA, EA... (E, F, G, H, J...)	water	water		18.0	22	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Ala 102	Gly 103	SEE REMARK 999

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

PDB	External Database	Details
Thr 29	Ser 33	SEE REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	10
	Total formula weight	196203.0
Non-Polymers*	Number of molecules	13
	Total formula weight	1489.8
All*	Total formula weight	197692.8

*Water molecules are not included.