5LY1

JMJD2A/ KDM4A COMPLEXED WITH NI(II) AND Macrocyclic PEPTIDE Inhibitor CP2 (13-mer)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Lysine-specific demethylase 4A	polymer	381	44326.3	4	UniProt (O75164) Pfam (PF02375) Pfam (PF02373)	Homo sapiens (Human)	JmjC domain-containing histone demethylation protein 3A,Jumonji domain-containing protein 2A
2	E (E)	CP2	polymer	14	1914.1	1		synthetic construct
3	F, K, Q, U (A, B, C, D)	NICKEL (II) ION	non-polymer		58.7	4	Chemie (NI)
4	G, L, R, V (A, B, C, D)	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
5	H, S, W (A, C, D)	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
6	I, M, N, P, T (A, B, C)	GLYCEROL	non-polymer		92.1	5	Chemie (GOL)
7	J, O, X (A, B, D)	PROPANOIC ACID	non-polymer		74.1	3	Chemie (PPI)
8	AA, BA, CA, Y, Z (C, D, E, A, B)	water	water		18.0	405	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 359 (UniProt: O75164)

PDB	External Database	Details
Met -21	-	initiating methionine
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
Ser -14	-	expression tag
Ser -13	-	expression tag
Gly -12	-	expression tag
Val -11	-	expression tag
Asp -10	-	expression tag
Leu -9	-	expression tag
Gly -8	-	expression tag
Thr -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	179219.2
Non-Polymers*	Number of molecules	19
	Total formula weight	1285.5
All*	Total formula weight	180504.7

*Water molecules are not included.