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

Enzymatic activity of 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;

Protein crystallography data

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

Other elements in 8zhy:

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
Sodium (Na) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc 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 Zinc atom.
In total 3 binding sites of Zinc where determined in the Magnesium Substituted Terephthalate 1,2-Cis- Dihydrodioldehydrogenase/Decarboxylase in Complex with CO2., PDB code: 8zhy:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in 8zhy

Go back to Zinc Binding Sites List in 8zhy
Zinc binding site 1 out of 3 in the Magnesium Substituted Terephthalate 1,2-Cis- Dihydrodioldehydrogenase/Decarboxylase in Complex with CO2.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn 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:Zn404

b:58.4
occ:1.00
 HE2 A:HIS159 1.3 16.7 0.0
HE2 A:HIS255 1.8 15.0 0.0
NE2 A:HIS159 2.1 16.7 1.0
NE2 A:HIS255 2.6 15.0 1.0
HE2 A:HIS259 3.0 20.9 0.0
CE1 A:HIS159 3.0 16.7 1.0
HE1 A:HIS159 3.1 16.7 1.0
CD2 A:HIS159 3.2 16.5 1.0
O A:HOH544 3.2 30.0 1.0
HD2 A:HIS259 3.4 20.9 1.0
HD2 A:HIS255 3.4 15.2 1.0
HD2 A:HIS159 3.4 16.5 1.0
CD2 A:HIS255 3.4 15.2 1.0
NE2 A:HIS259 3.4 20.9 1.0
CD2 A:HIS259 3.6 20.9 1.0
CE1 A:HIS255 3.7 15.0 1.0
HE1 A:HIS255 4.0 15.0 1.0
ND1 A:HIS159 4.1 16.3 1.0
CG A:HIS159 4.2 17.0 1.0
HD12 A:LEU158 4.3 18.1 1.0
CE1 A:HIS259 4.5 21.4 1.0
CG A:HIS255 4.6 15.8 1.0
ND1 A:HIS255 4.7 15.2 1.0
CG A:HIS259 4.8 21.4 1.0
HG A:LEU158 4.9 17.7 1.0
HD1 A:HIS159 4.9 16.3 0.0
HD22 A:LEU144 4.9 23.5 1.0
HE1 A:HIS259 4.9 21.4 1.0

Zinc binding site 2 out of 3 in 8zhy

Go back to Zinc Binding Sites List in 8zhy
Zinc binding site 2 out of 3 in the Magnesium Substituted Terephthalate 1,2-Cis- Dihydrodioldehydrogenase/Decarboxylase in Complex with CO2.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn 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
C:Zn404

b:58.2
occ:1.00
 HE2 C:HIS159 1.6 31.6 0.0
HE2 C:HIS255 2.1 36.7 0.0
HE2 B:HIS203 2.2 46.7 0.0
NE2 C:HIS159 2.5 31.6 1.0
HE1 B:HIS203 2.8 46.4 1.0
NE2 B:HIS203 2.8 46.7 1.0
NE2 C:HIS255 3.0 36.7 1.0
CE1 B:HIS203 3.1 46.4 1.0
HE2 C:HIS259 3.2 34.8 0.0
HD2 C:HIS259 3.3 34.7 1.0
CE1 C:HIS159 3.3 31.3 1.0
HE1 C:HIS159 3.4 31.3 1.0
CD2 C:HIS159 3.5 32.2 1.0
NE2 C:HIS259 3.6 34.8 1.0
HZ3 C:LYS263 3.7 44.1 1.0
HD2 C:HIS159 3.7 32.2 1.0
CD2 C:HIS259 3.7 34.7 1.0
CD2 C:HIS255 3.9 36.6 1.0
HD2 C:HIS255 3.9 36.6 1.0
CE1 C:HIS255 4.0 36.4 1.0
HE1 C:HIS255 4.1 36.4 1.0
CD2 B:HIS203 4.2 45.9 1.0
HZ2 C:LYS263 4.4 44.1 1.0
ND1 B:HIS203 4.4 46.7 1.0
NZ C:LYS263 4.4 44.1 1.0
ND1 C:HIS159 4.5 30.1 1.0
CG C:HIS159 4.6 31.9 1.0
HD2 B:HIS203 4.6 45.9 1.0
HD12 C:LEU158 4.7 29.0 1.0
CE1 C:HIS259 4.8 33.6 1.0
HZ1 C:LYS263 4.9 44.1 1.0
CG C:HIS259 4.9 33.9 1.0
CG B:HIS203 5.0 42.3 1.0
HD1 B:HIS203 5.0 46.7 0.0
OD2 B:ASP239 5.0 46.0 1.0

Zinc binding site 3 out of 3 in 8zhy

Go back to Zinc Binding Sites List in 8zhy
Zinc binding site 3 out of 3 in the Magnesium Substituted Terephthalate 1,2-Cis- Dihydrodioldehydrogenase/Decarboxylase in Complex with CO2.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 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:Zn401

b:73.6
occ:1.00
 HE2 D:HIS159 1.4 21.0 0.0
HE2 D:HIS255 1.8 15.6 0.0
NE2 D:HIS159 2.3 21.0 1.0
NE2 D:HIS255 2.6 15.6 1.0
HE2 D:HIS259 3.1 25.7 0.0
O D:HOH537 3.1 30.0 1.0
HD2 D:HIS259 3.2 25.1 1.0
CD2 D:HIS159 3.3 20.3 1.0
CE1 D:HIS159 3.3 20.7 1.0
HD2 D:HIS159 3.4 20.3 1.0
HE1 D:HIS159 3.4 20.7 1.0
NE2 D:HIS259 3.5 25.7 1.0
CD2 D:HIS255 3.5 16.2 1.0
HD2 D:HIS255 3.5 16.2 1.0
CD2 D:HIS259 3.5 25.1 1.0
CE1 D:HIS255 3.6 16.0 1.0
HE1 D:HIS255 3.8 16.0 1.0
ND1 D:HIS159 4.4 20.3 1.0
CG D:HIS159 4.4 19.2 1.0
HD12 D:LEU158 4.5 18.3 1.0
CE1 D:HIS259 4.6 25.6 1.0
CG D:HIS255 4.7 16.4 1.0
CG D:HIS259 4.7 24.7 1.0
ND1 D:HIS255 4.7 16.4 1.0

Reference:

K.A.Kumar, D.Pahwa. Magnesium Substituted Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with CO2. To Be Published.
Page generated: Thu Oct 31 14:11:10 2024

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