Magnesium in PDB 8zj3: Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 4-Hydroxybenzoate.

Enzymatic activity of Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 4-Hydroxybenzoate.

All present enzymatic activity of Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 4-Hydroxybenzoate.:
1.1.1.262;

Protein crystallography data

The structure of Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 4-Hydroxybenzoate., PDB code: 8zj3 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 / 2.90
Space group P 2 21 21
Cell size a, b, c (Å), α, β, γ (°) 86.831, 94.332, 168.433, 90, 90, 90
R / Rfree (%) 23.8 / 27.9

Other elements in 8zj3:

The structure of Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 4-Hydroxybenzoate. also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 4-Hydroxybenzoate. (pdb code 8zj3). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 4-Hydroxybenzoate., PDB code: 8zj3:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 8zj3

Go back to Magnesium Binding Sites List in 8zj3
Magnesium binding site 1 out of 3 in the Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 4-Hydroxybenzoate.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 4-Hydroxybenzoate. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg403

b:19.1
occ:1.00
 H A:SER215 2.1 0.5 1.0
HG A:SER205 2.7 30.0 0.0
O A:GLY211 2.8 0.5 1.0
HA A:LEU212 2.8 0.5 1.0
OG A:SER215 2.8 0.5 1.0
N A:SER215 2.9 0.5 1.0
H A:ASP214 2.9 0.5 1.0
HG A:SER215 3.1 30.0 0.0
O A:GLY207 3.1 0.5 1.0
HB2 A:ASP214 3.1 0.5 1.0
HB3 A:SER205 3.2 0.5 1.0
HA A:GLN208 3.2 0.5 1.0
HB3 A:SER215 3.2 0.5 1.0
HB2 A:SER205 3.2 0.5 1.0
C A:LEU212 3.2 0.5 1.0
O A:LEU212 3.3 0.5 1.0
HG2 A:GLN208 3.3 0.5 1.0
CA A:LEU212 3.4 0.5 1.0
N A:ASP214 3.4 0.5 1.0
CB A:SER215 3.4 0.5 1.0
CB A:SER205 3.5 0.5 1.0
OG A:SER205 3.5 0.5 1.0
C A:GLY211 3.7 0.5 1.0
CA A:SER215 3.7 0.5 1.0
HG3 A:GLN208 3.7 0.5 1.0
C A:ASP214 3.8 0.5 1.0
CA A:ASP214 3.8 0.5 1.0
N A:GLU213 3.8 0.5 1.0
CB A:ASP214 3.9 0.5 1.0
N A:LEU212 3.9 0.5 1.0
CG A:GLN208 3.9 0.5 1.0
H A:GLU213 4.0 0.5 1.0
CA A:GLN208 4.1 0.5 1.0
C A:GLY207 4.2 0.5 1.0
C A:GLU213 4.2 0.5 1.0
HA A:SER215 4.2 0.5 1.0
HB3 A:ASP214 4.3 0.5 1.0
HB2 A:SER215 4.3 0.5 1.0
H A:GLN216 4.5 0.5 1.0
CB A:GLN208 4.5 0.5 1.0
HD22 A:ASN201 4.6 0.5 1.0
HD21 A:LEU212 4.6 0.5 1.0
N A:GLN208 4.6 0.5 1.0
CA A:GLU213 4.7 0.5 1.0
HE22 A:GLN208 4.7 0.5 1.0
HB3 A:GLN208 4.8 0.5 1.0
H A:LEU212 4.8 0.5 1.0
CB A:LEU212 4.8 0.5 1.0
HA A:ASP214 4.8 0.5 1.0
HB3 A:LEU212 4.9 0.5 1.0
O A:ASP214 4.9 0.5 1.0
C A:SER215 4.9 0.5 1.0
CA A:SER205 5.0 0.5 1.0

Magnesium binding site 2 out of 3 in 8zj3

Go back to Magnesium Binding Sites List in 8zj3
Magnesium binding site 2 out of 3 in the Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 4-Hydroxybenzoate.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 4-Hydroxybenzoate. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg404

b:21.7
occ:1.00
 OD1 A:ASP256 2.4 0.5 1.0
HE1 A:HIS255 2.4 0.5 1.0
HD1 A:HIS255 3.0 30.0 0.0
CE1 A:HIS255 3.1 0.5 1.0
ND1 A:HIS255 3.3 0.5 1.0
CG A:ASP256 3.4 0.5 1.0
OD2 A:ASP256 3.8 0.5 1.0
HA A:ASP256 4.2 0.5 1.0
NE2 A:HIS255 4.3 0.5 1.0
CB A:ASP256 4.6 0.5 1.0
CG A:HIS255 4.6 0.5 1.0
HB2 A:HIS259 4.6 0.5 1.0
HE2 A:HIS255 4.7 30.0 0.0
HB3 A:HIS259 4.8 0.5 1.0
CA A:ASP256 4.9 0.5 1.0
HB3 A:ASP256 4.9 0.5 1.0

Magnesium binding site 3 out of 3 in 8zj3

Go back to Magnesium Binding Sites List in 8zj3
Magnesium binding site 3 out of 3 in the Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 4-Hydroxybenzoate.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 4-Hydroxybenzoate. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg402

b:22.2
occ:1.00
 H B:ALA238 2.2 0.5 1.0
OD2 C:ASP256 2.3 0.5 1.0
HA2 B:GLY237 2.8 0.5 1.0
O B:HOH516 3.0 17.4 1.0
CG C:ASP256 3.1 0.5 1.0
N B:ALA238 3.1 0.5 1.0
OD1 C:ASP256 3.3 0.5 1.0
HE22 B:GLN257 3.3 0.5 1.0
HA B:PRO202 3.4 0.5 1.0
HB2 B:ALA238 3.5 0.5 1.0
HB1 B:ALA238 3.5 0.5 1.0
HE21 B:GLN257 3.5 0.5 1.0
O B:ASN201 3.5 0.5 1.0
O B:GLY199 3.6 0.5 1.0
H B:HIS203 3.6 0.5 1.0
CA B:GLY237 3.6 0.5 1.0
H B:ALA204 3.7 0.5 1.0
NE2 B:GLN257 3.8 0.5 1.0
H B:GLY199 3.8 0.5 1.0
CB B:ALA238 3.8 0.5 1.0
C B:GLY237 3.9 0.5 1.0
CA B:ALA238 4.1 0.5 1.0
HA3 B:GLY199 4.1 0.5 1.0
HA3 B:GLY237 4.1 0.5 1.0
CA B:PRO202 4.2 0.5 1.0
C B:ASN201 4.2 0.5 1.0
N B:HIS203 4.2 0.5 1.0
C B:GLY199 4.3 0.5 1.0
HB3 B:PHE198 4.3 0.5 1.0
H B:ASP239 4.3 0.5 1.0
N B:GLY199 4.3 0.5 1.0
O B:MET236 4.3 0.5 1.0
CA B:GLY199 4.4 0.5 1.0
N B:PRO202 4.4 0.5 1.0
CB C:ASP256 4.5 0.5 1.0
HB3 C:ASP256 4.6 0.5 1.0
N B:ALA204 4.6 0.5 1.0
C B:PRO202 4.6 0.5 1.0
N B:GLY237 4.6 0.5 1.0
HA B:ALA238 4.7 0.5 1.0
HB3 B:ALA238 4.7 0.5 1.0
HA B:ALA204 4.8 0.5 1.0
HB2 C:ASP256 4.9 0.5 1.0
C B:MET236 4.9 0.5 1.0
OD1 B:ASP239 4.9 0.5 1.0
HD1 C:HIS255 5.0 30.0 0.0

Reference:

K.A.Kumar, D.Pahwa. Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 4-Hydroxybenzoate. To Be Published.
Page generated: Sat Oct 5 08:41:43 2024

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