5LY2

JMJD2A/ KDM4A COMPLEXED WITH NI(II), NOG AND Macrocyclic PEPTIDE Inhibitor CP2_R6Kme3 (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, F, G, H (E, F, G, H)	CP2_R6Kme3	polymer	14	1928.2	4		synthetic construct
3	AA, I, O, V (D, A, B, C)	NICKEL (II) ION	non-polymer		58.7	4	Chemie (NI)
4	BA, J, P, W (D, A, B, C)	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
5	DA, K, R, Y (D, A, B, C)	N-OXALYLGLYCINE	non-polymer		147.1	4	Chemie (OGA)
6	L, M, S, T, U (A, B)	GLYCEROL	non-polymer		92.1	5	Chemie (GOL)
7	CA, N, Q, X, Z (D, B, C)	CHLORIDE ION	non-polymer		35.5	5	Chemie (CL)
8	EA, FA, GA, HA, IA... (A, B, C, D, E...)	water	water		18.0	503	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met -21	-	expression tag
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	8
	Total formula weight	185017.8
Non-Polymers*	Number of molecules	22
	Total formula weight	1722.5
All*	Total formula weight	186740.3

*Water molecules are not included.