1M1A

LIGAND BINDING ALTERS THE STRUCTURE AND DYNAMICS OF NUCLEOSOMAL DNA

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (I, J)	Palindromic 146 Base Pair DNA Fragment	polymer	146	45054.8	2		Synthetic construct
2	C, G (A, E)	Histone H3.3C	polymer	135	15320.0	2	UniProt (P02302) Pfam (PF00125)	Xenopus laevis (African clawed frog)
3	D, H (B, F)	Histone H4	polymer	102	11263.2	2	UniProt (A0A8J1LTD2) Pfam (PF15511) UniProt (by SIFTS) (P62799)	Xenopus laevis (African clawed frog)
4	E, I (C, G)	Histone H2A type 1	polymer	129	13962.2	2	UniProt (P06897) Pfam (PF00125) Pfam (PF16211)	Xenopus laevis (African clawed frog)
5	F, J (D, H)	Histone H2B	polymer	125	13848.1	2	UniProt (A0A8J0U496) Pfam (PF00125) UniProt (by SIFTS) (P02281)	Xenopus laevis (African clawed frog)
6	EA, K, L, M, N... (E, I, J)	MANGANESE (II) ION	non-polymer		54.9	10	Chemie (MN)
7	T, U (J)	4-AMINO-(1-METHYLIMIDAZOLE)-2-CARBOXYLIC ACID	non-polymer		141.1	2	Chemie (IMT)
8	AA, BA, V, W, Y... (J)	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	non-polymer		140.1	6	Chemie (PYB)
9	X (J)	GAMMA-AMINO-BUTANOIC ACID	non-polymer		103.1	1	Chemie (ABU)
10	CA (J)	BETA-ALANINE	non-polymer		89.1	1	Chemie (BAL)
11	DA (J)	3-AMINO-(DIMETHYLPROPYLAMINE)	non-polymer		102.2	1	Chemie (DIB)
12	FA, GA, HA, IA, JA... (I, J, A, B, C...)	water	water		18.0	220	Chemie (HOH)

Sequence modifications

A, E: 401 - 535 (UniProt: P02302)

PDB	External Database	Details
Ser 486	Arg 87	conflict

C, G: 801 - 929 (UniProt: P06897)

PDB	External Database	Details
Arg 899	Gly 100	conflict

Contents of the asymmetric unit

Polymers	Number of chains	10
	Total formula weight	198896.9
Non-Polymers*	Number of molecules	21
	Total formula weight	1966.9
All*	Total formula weight	200863.8

*Water molecules are not included.