5FP3

Cell penetrant inhibitors of the JMJD2 (KDM4) and JARID1 (KDM5) families of histone lysine demethylases

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	HUMAN LYSINE-SPECIFIC DEMETHYLASE 6B, JMJD3	polymer	510	58050.3	2	UniProt (O15054) Pfam (PF02373) Pfam (PF21322) Pfam (PF21326) In PDB	HOMO SAPIENS (HUMAN)	JMJC DOMAIN-CONTAINING PROTEIN 3, JUMONJI DOMAIN-CONTAINING PROTEIN 3, LYSINE DEMETHYLASE 6B, JMJD3
2	A, B	3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid	non-polymer		284.3	2	Chemie (YC8)
3	A, B	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	A, B	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
5	A, B	BICINE	non-polymer		163.2	4	Chemie (BCN)
6	A, B	COBALT (II) ION	non-polymer		58.9	2	Chemie (CO)
7		water	water		18.0	835	Chemie (HOH)

Sequence modifications

A, B: 1141 - 1643 (UniProt: O15054)

PDB	External Database	Details
Met 1140	-	expression tag
His 1644	-	expression tag
His 1645	-	expression tag
His 1646	-	expression tag
His 1647	-	expression tag
His 1648	-	expression tag
His 1649	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	116100.6
Non-Polymers*	Number of molecules	14
	Total formula weight	1567.2
All*	Total formula weight	117667.8

*Water molecules are not included.