3PDQ

Crystal structure of JMJD2A complexed with bipyridyl inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Lysine-specific demethylase 4A	polymer	381	44326.3	2	UniProt (O75164) Pfam (PF02375) Pfam (PF02373)	Homo sapiens (human)	JmjC domain-containing histone demethylation protein 3A, Jumonji domain-containing protein 2A
2	C, K (A, B)	NICKEL (II) ION	non-polymer		58.7	2	Chemie (NI)
3	D, L (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	E, M (A, B)	4'-[(2-aminoethyl)carbamoyl]-2,2'-bipyridine-4-carboxylic acid	non-polymer		286.3	2	Chemie (KC6)
5	F, G, H, J, N (A, B)	CHLORIDE ION	non-polymer		35.5	5	Chemie (CL)
6	I, O (A, B)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
7	P, Q (A, B)	water	water		18.0	552	Chemie (HOH)

Sequence modifications

A, B: 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	2
	Total formula weight	88652.5
Non-Polymers*	Number of molecules	13
	Total formula weight	1044.0
All*	Total formula weight	89696.6

*Water molecules are not included.