Sodium in PDB 8zhy: Magnesium Substituted Terephthalate 1,2-Cis- Dihydrodioldehydrogenase/Decarboxylase in Complex with CO2.

All present enzymatic activity of Magnesium Substituted Terephthalate 1,2-Cis- Dihydrodioldehydrogenase/Decarboxylase in Complex with CO2.:
1.1.1.262;

The structure of Magnesium Substituted Terephthalate 1,2-Cis- Dihydrodioldehydrogenase/Decarboxylase in Complex with CO2., PDB code: 8zhy was solved by K.A.Kumar, D.Pahwa, P.Kumar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.70
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	86.729, 93.776, 166.309, 90, 90, 90
R / Rfree (%)	28.3 / 33

The structure of Magnesium Substituted Terephthalate 1,2-Cis- Dihydrodioldehydrogenase/Decarboxylase in Complex with CO2. also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Zinc	(Zn)	3 atoms

The binding sites of Sodium atom in the Magnesium Substituted Terephthalate 1,2-Cis- Dihydrodioldehydrogenase/Decarboxylase in Complex with CO2. (pdb code 8zhy). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Magnesium Substituted Terephthalate 1,2-Cis- Dihydrodioldehydrogenase/Decarboxylase in Complex with CO2., PDB code: 8zhy:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Magnesium Substituted Terephthalate 1,2-Cis- Dihydrodioldehydrogenase/Decarboxylase in Complex with CO2.


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Magnesium Substituted Terephthalate 1,2-Cis- Dihydrodioldehydrogenase/Decarboxylase in Complex with CO2. within 5.0Å range: probe atom residue distance (Å) B Occ A:Na405 b:30.0 occ:1.00 H A:TYR127 2.6 29.4 1.0 HD2 A:TYR127 3.2 27.2 1.0 HA2 A:GLY126 3.3 32.8 1.0 HA3 A:GLY126 3.3 32.8 1.0 N A:TYR127 3.5 29.4 1.0 O A:HOH541 3.6 30.0 1.0 HD2 A:PRO128 3.6 26.1 1.0 HB2 A:TYR127 3.6 28.0 1.0 HD3 A:PRO128 3.7 26.1 1.0 CA A:GLY126 3.7 32.8 1.0 CD2 A:TYR127 3.9 27.2 1.0 CD A:PRO128 4.1 26.1 1.0 C A:GLY126 4.2 30.7 1.0 CB A:TYR127 4.3 28.0 1.0 HE1 A:HIS112 4.4 19.4 1.0 CG A:TYR127 4.5 27.2 1.0 CA A:TYR127 4.5 28.5 1.0 HE2 A:TYR127 4.8 27.6 1.0 CE2 A:TYR127 4.8 27.6 1.0 HE1 A:HIS159 4.9 16.7 1.0 HZ A:PHE124 4.9 31.9 1.0

Sodium binding site 2 out of 2 in the Magnesium Substituted Terephthalate 1,2-Cis- Dihydrodioldehydrogenase/Decarboxylase in Complex with CO2.


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Magnesium Substituted Terephthalate 1,2-Cis- Dihydrodioldehydrogenase/Decarboxylase in Complex with CO2. within 5.0Å range: probe atom residue distance (Å) B Occ D:Na403 b:30.0 occ:1.00 HG D:SER170 1.8 18.8 0.0 OG D:SER170 2.4 18.8 1.0 HB3 D:GLN172 3.1 21.0 1.0 HB2 D:LEU173 3.3 21.9 1.0 CB D:SER170 3.7 18.3 1.0 H D:LEU173 3.8 21.5 1.0 HB3 D:SER170 3.9 18.3 1.0 HB2 D:SER170 4.0 18.3 1.0 CB D:GLN172 4.0 21.0 1.0 N D:LEU173 4.2 21.5 1.0 HD13 D:LEU173 4.2 21.8 1.0 CB D:LEU173 4.3 21.9 1.0 HB2 D:GLN172 4.4 21.0 1.0 HG2 D:GLN172 4.5 21.6 1.0 HG3 D:GLN172 4.5 21.6 1.0 H D:GLN172 4.6 20.1 1.0 HA D:LEU173 4.6 21.8 1.0 CG D:GLN172 4.6 21.6 1.0 CA D:LEU173 4.7 21.8 1.0 O D:ARG168 4.7 19.6 1.0 HB3 D:LEU173 4.8 21.9 1.0 C D:GLN172 4.8 20.6 1.0 CA D:SER170 4.9 18.1 1.0 CA D:GLN172 4.9 20.4 1.0 CD1 D:LEU173 5.0 21.8 1.0 HD22 D:LEU173 5.0 21.8 1.0

K.A.Kumar, D.Pahwa. Magnesium Substituted Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with CO2. To Be Published.