Zinc in PDB 4uf0: Crystal Structure of Jmjc Domain of Human Histone Demethylase Uty in Complex with Epitherapuetic Compound 2-(((2-((2-(Dimethylamino)Ethyl)(Ethyl)Amino)-2-Oxoethyl) Amino)Methyl)Isonicotinic Acid.

The structure of Crystal Structure of Jmjc Domain of Human Histone Demethylase Uty in Complex with Epitherapuetic Compound 2-(((2-((2-(Dimethylamino)Ethyl)(Ethyl)Amino)-2-Oxoethyl) Amino)Methyl)Isonicotinic Acid., PDB code: 4uf0 was solved by V.Srikannathasan, C.Johansson, C.Gileadi, K.Tobias, J.Kopec, F.Von Delft, C.H.Arrowsmith, C.Bountra, A.Edwards, U.Oppermann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	81.03 / 1.78
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	90.494, 110.458, 119.230, 90.00, 90.00, 90.00
R / Rfree (%)	14.857 / 21.517

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

Iron

(Fe)

2 atoms

The binding sites of Zinc atom in the Crystal Structure of Jmjc Domain of Human Histone Demethylase Uty in Complex with Epitherapuetic Compound 2-(((2-((2-(Dimethylamino)Ethyl)(Ethyl)Amino)-2-Oxoethyl) Amino)Methyl)Isonicotinic Acid. (pdb code 4uf0). 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 Jmjc Domain of Human Histone Demethylase Uty in Complex with Epitherapuetic Compound 2-(((2-((2-(Dimethylamino)Ethyl)(Ethyl)Amino)-2-Oxoethyl) Amino)Methyl)Isonicotinic Acid., PDB code: 4uf0:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Jmjc Domain of Human Histone Demethylase Uty 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 Jmjc Domain of Human Histone Demethylase Uty 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:Zn2269 b:33.5 occ:1.00 SG A:CYS1202 2.2 35.9 1.0 SG A:CYS1226 2.3 32.1 1.0 SG A:CYS1229 2.3 34.6 1.0 SG A:CYS1199 2.3 33.3 1.0 CB A:CYS1199 3.1 31.9 1.0 CB A:CYS1229 3.2 37.4 1.0 CB A:CYS1202 3.3 34.1 1.0 CB A:CYS1226 3.5 30.2 1.0 N A:CYS1202 3.7 37.9 1.0 N A:CYS1226 4.0 28.4 1.0 CA A:CYS1202 4.0 33.9 1.0 CG1 A:VAL1204 4.2 34.0 1.0 N A:CYS1229 4.2 28.1 1.0 CA A:CYS1226 4.3 31.1 1.0 CA A:CYS1229 4.3 29.3 1.0 O A:HOH2216 4.3 49.2 1.0 CA A:CYS1199 4.6 29.8 1.0 CB A:ILE1201 4.7 39.2 1.0 C A:ILE1201 4.7 38.3 1.0 C A:CYS1202 4.8 30.6 1.0 N A:GLU1203 4.9 29.9 1.0 O A:CYS1226 4.9 28.3 1.0 C A:CYS1226 4.9 29.5 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Jmjc Domain of Human Histone Demethylase Uty 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 Jmjc Domain of Human Histone Demethylase Uty 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:Zn2269 b:34.7 occ:1.00 SG B:CYS1226 2.3 32.7 1.0 SG B:CYS1202 2.3 37.0 1.0 SG B:CYS1199 2.4 31.2 1.0 SG B:CYS1229 2.4 35.4 1.0 CB B:CYS1199 3.2 28.7 1.0 CB B:CYS1229 3.2 31.1 1.0 CB B:CYS1202 3.3 38.5 1.0 CB B:CYS1226 3.5 32.6 1.0 N B:CYS1202 3.7 31.7 1.0 N B:CYS1226 4.0 27.8 1.0 CA B:CYS1202 4.1 38.6 1.0 O B:HOH2214 4.2 51.3 1.0 O B:HOH2235 4.2 50.1 1.0 N B:CYS1229 4.2 28.0 1.0 CG1 B:VAL1204 4.3 32.5 1.0 CA B:CYS1226 4.3 32.2 1.0 CA B:CYS1229 4.3 31.3 1.0 O B:HOH2231 4.4 41.8 1.0 CB B:ILE1201 4.5 40.7 1.0 CA B:CYS1199 4.6 28.1 1.0 C B:CYS1202 4.8 35.7 1.0 C B:ILE1201 4.8 38.6 1.0 C B:CYS1226 4.9 28.7 1.0 N B:GLU1203 4.9 33.7 1.0 O B:CYS1226 4.9 29.6 1.0

V.Srikannathasan, C.Johansson, C.Gileadi, K.Tobias, J.Kopec, F.Von Delft, C.H.Arrowsmith, C.Bountra, A.Edwards, U.Oppermann. Crystal Structure of Jmjc Domain of Human Histone Demethylase Uty in Complex with Epitherapuetic Compound 2-(((2-((2-(Dimethylamino)Ethyl)(Ethyl) Amino)-2-Oxoethyl)Amino)Methyl)Isonicotinic Acid. To Be Published.