5VMP

Crystal Structure of Human KDM4 with Small Molecule Inhibitor QC5714

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	Lysine-specific demethylase 4A	polymer	369	42975.8	4	UniProt (O75164) Pfam (PF02375) Pfam (PF02373) In PDB	Homo sapiens (Human)	JmjC domain-containing histone demethylation protein 3A,Jumonji domain-containing protein 2A
2	A, B, C, D	NICKEL (II) ION	non-polymer		58.7	4	Chemie (NI)
3	A, B, C, D	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
4	A, B, C, D	3-({[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl}amino)pyridine-4-carboxylic acid	non-polymer		312.4	4	Chemie (9FJ)
5		water	water		18.0	244	Chemie (HOH)

Sequence modifications

A, B, C, D: 5 - 354 (UniProt: O75164)

PDB	External Database	Details
Met -14	-	expression tag
Gly -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
Gly -6	-	expression tag
Ser -5	-	expression tag
Gly -4	-	expression tag
Glu -3	-	expression tag
Asn -2	-	expression tag
Leu -1	-	expression tag
Tyr 0	-	expression tag
Phe 1	-	expression tag
Gln 2	-	expression tag
Ser 3	-	expression tag
Asn 4	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	171903.1
Non-Polymers*	Number of molecules	12
	Total formula weight	1745.9
All*	Total formula weight	173648.9

*Water molecules are not included.