Brand  (β version)

PDB ID: 5A80

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Ligands
Code Name Style Show Link
SO4 Sulfate ion PoSSuM
MN Manganese (II) ion PoSSuM
9CJ 2-[5-[2-(3-methoxyphenyl)ethanoylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid PoSSuM
ZN Zinc ion PoSSuM
EDO 1,2-ethanediol PoSSuM
Non-standard Residues
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Structure summary

Code : 5A80   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Crystal structure of human JMJD2A in complex with compound 40
Release Data : 2016-01-13
Compound :
mol_id molecule chains synonym
1 LYSINE-SPECIFIC DEMETHYLASE 4A A,B JMJC DOMAIN-CONTAINING HISTONE DEMETHYLATION PROTEIN 3A, JUMONJI DOMAIN-CONTAINING PROTEIN 2A
ec: 1.14.11.-
fragment: RESIDUES 1-359
Source :
mol_id organism_scientific organism_common expression_system
1 HOMO SAPIENS  (taxid:9606) HUMAN ESCHERICHIA COLI  (taxid:469008)
expression_system_strain: BL21(DE3)
expression_system_plasmid: PNIC28-BSA4
Authors : Nowak, R., Velupillai, S., Krojer, T., Gileadi, C., Johansson, C., Korczynska, M., Le, D.D., Younger, N., Gregori-Puigjane, E., Tumber, A., Iwasa, E., Pollock, S.B., Ortiz Torres, I., Kopec, J., Tallant, C., Froese, S., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A., Shoichet, B.K., Fujimori, D.G., Oppermann, U.
Keywords : OXIDOREDUCTASE, JMJD2A, KDM4A
Exp. method : X-RAY DIFFRACTION ( 2.28 Å )
Citation :

Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.

Korczynska, M.,Le, D.D.,Younger, N.  et al.
(2016)  J.Med.Chem.  59 : 1580

PubMed: 26699912
DOI: 10.1021/ACS.JMEDCHEM.5B01527

Reaction

Chain : A, B
UniProt : O75164 (KDM4A_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
2 2-oxoglutarate + N(6),N(6),N(6)-trimethyl-L-lysyl(9)- [histone H3] + 2 O2 = 2 CO2 + 2 formaldehyde + N(6)-methyl-L- lysyl(9)-[histone H3] + 2 succinate 1.14.11.66 PubMed:16603238
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2 2-oxoglutarate + N(6),N(6),N(6)-trimethyl-L-lysyl(36)- [histone H3] + 2 O2 = 2 CO2 + 2 formaldehyde + N(6)-methyl-L- lysyl(36)-[histone H3] + 2 succinate 1.14.11.69 PubMed:16603238
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