Magnesium 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:

Zinc	(Zn)	3 atoms
Sodium	(Na)	2 atoms

The binding sites of Magnesium 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 Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Magnesium Substituted Terephthalate 1,2-Cis- Dihydrodioldehydrogenase/Decarboxylase in Complex with CO2., PDB code: 8zhy:
Jump to Magnesium binding site number: 1; 2;

Magnesium 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 Magnesium with other atoms in the Mg 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 B:Mg402 b:30.0 occ:1.00 HE2 B:HIS255 2.0 29.6 0.0 HE2 C:HIS203 2.1 53.5 0.0 HE2 B:HIS159 2.3 25.7 0.0 HD2 B:HIS259 2.7 23.7 1.0 HE1 C:HIS203 2.8 49.0 1.0 NE2 C:HIS203 2.8 53.5 1.0 O B:HOH524 2.8 30.0 1.0 NE2 B:HIS255 2.9 29.6 1.0 CE1 C:HIS203 3.1 49.0 1.0 NE2 B:HIS159 3.2 25.7 1.0 HZ2 B:LYS263 3.2 37.1 1.0 HE2 B:HIS259 3.2 24.4 0.0 CD2 B:HIS259 3.3 23.7 1.0 HZ3 B:LYS263 3.5 37.1 1.0 NE2 B:HIS259 3.5 24.4 1.0 HE1 B:HIS255 3.6 29.6 1.0 CE1 B:HIS255 3.6 29.6 1.0 NZ B:LYS263 3.8 37.1 1.0 CD2 B:HIS255 3.9 29.1 1.0 CE1 B:HIS159 4.1 25.5 1.0 OD2 C:ASP239 4.1 44.6 1.0 CD2 C:HIS203 4.1 54.0 1.0 HD2 B:HIS255 4.1 29.1 1.0 HZ1 B:LYS263 4.1 37.1 1.0 CD2 B:HIS159 4.1 25.9 1.0 HE1 B:HIS159 4.2 25.5 1.0 HD2 B:HIS159 4.2 25.9 1.0 ND1 C:HIS203 4.4 51.2 1.0 CG B:HIS259 4.5 24.0 1.0 HD2 C:HIS203 4.6 54.0 1.0 CE1 B:HIS259 4.7 24.5 1.0 ND1 B:HIS255 4.9 29.5 1.0 CG C:HIS203 4.9 49.3 1.0 HE3 B:LYS263 5.0 36.7 1.0

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg402 b:30.0 occ:1.00 H D:ARG163 2.0 18.8 1.0 HB D:VAL162 2.6 16.3 1.0 HB2 D:ARG163 2.8 21.4 1.0 N D:ARG163 2.9 18.8 1.0 HB2 D:SER161 2.9 14.9 1.0 H D:VAL162 2.9 16.1 1.0 N D:VAL162 3.3 16.1 1.0 CB D:VAL162 3.5 16.3 1.0 CB D:ARG163 3.5 21.4 1.0 HB3 D:ARG163 3.5 21.4 1.0 CA D:VAL162 3.7 16.4 1.0 CB D:SER161 3.7 14.9 1.0 C D:VAL162 3.7 17.9 1.0 CA D:ARG163 3.8 20.0 1.0 HG22 D:VAL162 3.9 16.6 1.0 C D:SER161 4.0 14.8 1.0 OG D:SER161 4.0 15.2 1.0 HG D:SER161 4.0 15.2 0.0 HA D:SER161 4.2 14.6 1.0 CA D:SER161 4.2 14.6 1.0 CG2 D:VAL162 4.3 16.6 1.0 HA D:ARG163 4.3 20.0 1.0 HE D:ARG163 4.4 24.8 1.0 H D:SER164 4.4 18.8 1.0 HG12 D:VAL162 4.5 15.8 1.0 HB3 D:SER161 4.5 14.9 1.0 CG1 D:VAL162 4.6 15.8 1.0 HG21 D:VAL162 4.6 16.6 1.0 HA D:VAL162 4.6 16.4 1.0 NE D:ARG163 4.8 24.8 1.0 CG D:ARG163 4.8 22.1 1.0 HG13 D:VAL162 4.8 15.8 1.0 O D:SER161 4.9 14.4 1.0 O D:VAL162 4.9 19.4 1.0 HD2 D:ARG163 5.0 23.4 1.0

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