5FZM

Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment 5-(2-fluorophenyl)-1,3-oxazole-4-carboxylic acid (N09989b) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	LYSINE-SPECIFIC DEMETHYLASE 5B, LYSINE-SPECIFIC DEMETHYLASE 5B	polymer	479	55144.2	1	UniProt (Q9UGL1) Pfam (PF02375) Pfam (PF02373) Pfam (PF21323) Pfam (PF02928) In PDB	HOMO SAPIENS (HUMAN)
2	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
3	A	DIMETHYL SULFOXIDE	non-polymer		78.1	3	Chemie (DMS)
4	A	MANGANESE (II) ION	non-polymer		54.9	1	Chemie (MN)
5	A	1,2-ETHANEDIOL	non-polymer		62.1	10	Chemie (EDO)
6	A	5-(2-fluorophenyl)-1,3-oxazole-4-carboxylic acid	non-polymer		207.2	1	Chemie (P60)
7	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
8	A	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
9		water	water		18.0	111	Chemie (HOH)

Sequence modifications

A: 26 - 101 (UniProt: Q9UGL1)

PDB	External Database	Details
Ser -1	-	expression tag
Met 0	-	expression tag

A: 376 - 770 (UniProt: Q9UGL1)

PDB	External Database	Details
Gly 370	-	linker
Gly 371	-	linker
Gly 372	-	linker
Gly 373	-	linker
Ala 374	-	linker
Ser 375	-	linker

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	55144.2
Non-Polymers*	Number of molecules	18
	Total formula weight	1313.0
All*	Total formula weight	56457.2

*Water molecules are not included.