9RXV

RAPTA-T (Ruthenium[II]-toluene-phosphaadamantane) cancer drug binding to the nucleosome core

This is a non-PDB format compatible entry.

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	128	13907.2	2	UniProt (Q6AZJ8) Pfam (PF00125) Pfam (PF16211)	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		Homo sapiens
6	J (J)	DNA (145-MER)	polymer	145	44740.6	1		Homo sapiens
7	K, M, O (D, G, H)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
8	L (E)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG) PubChem (888)
9	N, P (G, H)	Ruthenium[II]-toluene-phosphaadamantane	non-polymer		345.3	2	Chemie (A1JJS)

Sequence modifications

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

PDB	External Database	Details
Ala 102	Gly 103	conflict

C, G: 1 - 128 (UniProt: Q6AZJ8)

PDB	External Database	Details
-	Ala 127	deletion

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

PDB	External Database	Details
Thr 29	Ser 33	conflict

Contents of the asymmetric unit

Polymers	Number of chains	10
	Total formula weight	198135.2
Non-Polymers*	Number of molecules	6
	Total formula weight	1003.1
All*	Total formula weight	199138.3

*Water molecules are not included.