Het-PDB Navi2 (PDB: 3U4S)

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Ligands
Code	Name	Link
NI	Nickel (II) ion	PoSSuM
ZN	Zinc ion	PoSSuM
08P	N-(carboxycarbonyl)-D-cysteine	PoSSuM

Non-standard Residues
Code	Name	Show
M3L	N-trimethyllysine

Glycosylation
Code	Name	Emphasize

Modification
Code	Name	Show

Download interaction data: 3U4S

Code :

3U4S PDBj RCSB PDB PDBe

Header :

OXIDOREDUCTASE/OXIDOREDUCTASE SUBSTRATE

Title :

Histone Lysine demethylase JMJD2A in complex with T11C peptide substrate crosslinked to N-oxalyl-D-cysteine

Release Data :

2012-02-08

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: JMJC DOMAIN, UNP residues 1-359

mol_id	molecule	chains
2	HISTONE 3 TAIL ANALOG (T11C Peptide)	C,D

Source :

mol_id	organism_scientific	organism_common	expression_system
1	Homo sapiens (taxid:9606)	Human	Escherichia coli (taxid:469008)
	gene: JHDM3A, JMJD2, JMJD2A, KDM4A, KIAA0677 expression_system_strain: BL21 DE3 expression_system_vector_type: plasmid expression_system_plasmid: pNIC28-BSA4

mol_id	organism_scientific
2
	synthetic: yes other_details: This sequence occurs naturally in humans

Authors :

Ma, J., McDonough, M.A., Schofield, C.J.

Keywords :

double-stranded beta-helix, demethylase, histone 3 tail, nucleus, OXIDOREDUCTASE-OXIDOREDUCTASE SUBSTRATE complex

Exp. method :

X-RAY DIFFRACTION ( 2.150 Å )

Citation :

Linking of 2-Oxoglutarate and Substrate Binding Sites Enables Potent and Highly Selective Inhibition of JmjC Histone Demethylases.

Woon, E.C.,Tumber, A.,Kawamura, A. et al.
(2012) Angew.Chem.Int.Ed.Engl. 51 : 1631 - 1634

Chain :

A, B

UniProt :

O75164 (KDM4A_HUMAN)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
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
	-	PubMed:16603238
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
	-	PubMed:16603238

PDB ID: 3U4S