Zinc in PDB 5fjh: Crystal Structure of Human JMJD2C Catalytic Domain in Complex with Epitherapuetic Compound 2-(((2-((2-( Dimethylamino)Ethyl) (Ethyl)Amino)-2-Oxoethyl)Amino)Methyl) Isonicotinic Acid

The structure of Crystal Structure of Human JMJD2C Catalytic Domain in Complex with Epitherapuetic Compound 2-(((2-((2-( Dimethylamino)Ethyl) (Ethyl)Amino)-2-Oxoethyl)Amino)Methyl) Isonicotinic Acid, PDB code: 5fjh was solved by V.Cecatiello, S.Pasqualato, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.767 / 2.10
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	89.240, 95.920, 100.430, 90.00, 90.00, 90.00
R / Rfree (%)	18.47 / 22.49

The structure of Crystal Structure of Human JMJD2C Catalytic Domain in Complex with Epitherapuetic Compound 2-(((2-((2-( Dimethylamino)Ethyl) (Ethyl)Amino)-2-Oxoethyl)Amino)Methyl) Isonicotinic Acid also contains other interesting chemical elements:

Nickel	(Ni)	2 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Zinc atom in the Crystal Structure of Human JMJD2C Catalytic Domain in Complex with Epitherapuetic Compound 2-(((2-((2-( Dimethylamino)Ethyl) (Ethyl)Amino)-2-Oxoethyl)Amino)Methyl) Isonicotinic Acid (pdb code 5fjh). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Human JMJD2C Catalytic Domain in Complex with Epitherapuetic Compound 2-(((2-((2-( Dimethylamino)Ethyl) (Ethyl)Amino)-2-Oxoethyl)Amino)Methyl) Isonicotinic Acid, PDB code: 5fjh:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Human JMJD2C Catalytic Domain in Complex with Epitherapuetic Compound 2-(((2-((2-( Dimethylamino)Ethyl) (Ethyl)Amino)-2-Oxoethyl)Amino)Methyl) Isonicotinic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Human JMJD2C Catalytic Domain in Complex with Epitherapuetic Compound 2-(((2-((2-( Dimethylamino)Ethyl) (Ethyl)Amino)-2-Oxoethyl)Amino)Methyl) Isonicotinic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1350 b:34.7 occ:1.00 NE2 A:HIS242 2.1 28.5 1.0 SG A:CYS308 2.2 42.8 1.0 SG A:CYS236 2.2 32.9 1.0 SG A:CYS310 2.3 59.3 1.0 CE1 A:HIS242 2.9 27.7 1.0 CD2 A:HIS242 3.2 27.1 1.0 CB A:CYS236 3.2 33.6 1.0 CB A:CYS308 3.4 44.7 1.0 CB A:CYS310 3.5 63.5 1.0 N A:CYS310 3.5 61.7 1.0 N A:THR309 3.8 56.3 1.0 CA A:CYS308 3.9 45.0 1.0 CA A:CYS310 4.0 64.6 1.0 C A:CYS308 4.1 51.8 1.0 ND1 A:HIS242 4.1 27.7 1.0 N A:ARG311 4.3 69.0 1.0 CG A:HIS242 4.3 28.3 1.0 C A:CYS310 4.5 68.0 1.0 CA A:CYS236 4.6 36.8 1.0 C A:THR309 4.6 63.3 1.0 CA A:THR309 4.8 61.1 1.0 O A:ALA238 4.8 26.5 1.0 CA A:PHE239 4.9 24.7 1.0 O A:CYS308 5.0 53.5 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Human JMJD2C Catalytic Domain in Complex with Epitherapuetic Compound 2-(((2-((2-( Dimethylamino)Ethyl) (Ethyl)Amino)-2-Oxoethyl)Amino)Methyl) Isonicotinic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Human JMJD2C Catalytic Domain in Complex with Epitherapuetic Compound 2-(((2-((2-( Dimethylamino)Ethyl) (Ethyl)Amino)-2-Oxoethyl)Amino)Methyl) Isonicotinic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1350 b:33.6 occ:1.00 SG B:CYS308 2.1 49.7 1.0 NE2 B:HIS242 2.1 34.8 1.0 SG B:CYS236 2.2 28.6 1.0 SG B:CYS310 2.3 66.2 1.0 CE1 B:HIS242 3.0 31.4 1.0 CD2 B:HIS242 3.2 32.4 1.0 CB B:CYS308 3.2 44.3 1.0 CB B:CYS236 3.3 30.3 1.0 CB B:CYS310 3.4 67.5 1.0 N B:CYS310 3.5 61.8 1.0 CA B:CYS308 3.8 44.0 1.0 N B:THR309 3.9 51.0 1.0 CA B:CYS310 3.9 66.5 1.0 C B:CYS308 4.1 48.0 1.0 N B:ARG311 4.2 63.0 1.0 ND1 B:HIS242 4.2 31.0 1.0 CG B:HIS242 4.3 31.4 1.0 C B:CYS310 4.4 67.5 1.0 C B:THR309 4.5 61.0 1.0 CA B:CYS236 4.6 33.8 1.0 O B:ALA238 4.7 26.6 1.0 CA B:THR309 4.8 55.0 1.0 CG B:ARG311 4.8 71.2 1.0 CB B:ARG311 4.9 67.4 1.0 CD B:ARG311 4.9 69.7 1.0 O B:CYS308 5.0 48.7 1.0

V.Cecatiello, S.Pasqualato. Crystal Structures of Human JMJD2C Catalytic Domain Bound to Inhibitors To Be Published.