Magnesium in PDB 8zj7: Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 3,4-Dihydroxybenzoate and Nad.

Enzymatic activity of Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 3,4-Dihydroxybenzoate and Nad.

All present enzymatic activity of Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 3,4-Dihydroxybenzoate and Nad.:
1.1.1.262;

Protein crystallography data

The structure of Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 3,4-Dihydroxybenzoate and Nad., PDB code: 8zj7 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) 24.00 / 2.65
Space group P 2 21 21
Cell size a, b, c (Å), α, β, γ (°) 87.303, 98.148, 168.036, 90, 90, 90
R / Rfree (%) 18.1 / 25.2

Other elements in 8zj7:

The structure of Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 3,4-Dihydroxybenzoate and Nad. also contains other interesting chemical elements:

Sodium (Na) 1 atom
Chlorine (Cl) 1 atom
Zinc (Zn) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 3,4-Dihydroxybenzoate and Nad. (pdb code 8zj7). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 3,4-Dihydroxybenzoate and Nad., PDB code: 8zj7:

Magnesium binding site 1 out of 1 in 8zj7

Go back to Magnesium Binding Sites List in 8zj7
Magnesium binding site 1 out of 1 in the Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 3,4-Dihydroxybenzoate and Nad.


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 3,4-Dihydroxybenzoate and Nad. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg403

b:61.9
occ:1.00
 H C:HIS203 2.0 40.3 1.0
HA C:PRO202 2.6 35.8 1.0
OD1 A:ASP256 2.7 38.6 1.0
N C:HIS203 2.9 40.8 1.0
HE1 A:HIS255 2.9 50.8 1.0
HA2 C:GLY237 3.0 47.4 1.0
OD1 C:ASP239 3.1 61.2 1.0
HA3 C:GLY237 3.1 47.3 1.0
HD1 A:HIS255 3.4 45.1 0.0
CA C:PRO202 3.4 35.5 1.0
CA C:GLY237 3.5 46.5 1.0
CE1 A:HIS255 3.5 51.4 1.0
H C:ALA238 3.5 44.7 1.0
O A:HOH518 3.5 89.0 1.0
HA C:HIS203 3.6 40.7 1.0
C C:PRO202 3.6 38.0 1.0
CG A:ASP256 3.7 41.5 1.0
ND1 A:HIS255 3.7 48.8 1.0
HB3 C:PRO202 3.8 35.1 1.0
HD1 C:HIS203 3.8 54.6 0.0
CA C:HIS203 3.9 41.2 1.0
H C:ASP239 3.9 52.9 1.0
CG C:ASP239 3.9 58.8 1.0
OD2 A:ASP256 3.9 42.9 1.0
N C:ALA238 4.0 43.7 1.0
H C:ALA204 4.0 40.6 1.0
C C:GLY237 4.1 44.0 1.0
CB C:PRO202 4.2 35.3 1.0
OD2 C:ASP239 4.2 62.1 1.0
ND1 C:HIS203 4.3 56.8 1.0
O C:ASN201 4.6 37.8 1.0
N C:PRO202 4.6 34.9 1.0
NE2 A:HIS255 4.6 50.1 1.0
HB2 C:ALA238 4.6 48.9 1.0
N C:ASP239 4.7 53.0 1.0
N C:GLY237 4.7 50.5 1.0
N C:ALA204 4.8 40.4 1.0
CG C:HIS203 4.8 47.3 1.0
HA A:ASP256 4.8 40.7 1.0
O C:PRO202 4.8 40.1 1.0
HB2 C:PRO202 4.8 35.0 1.0
C C:HIS203 4.9 40.1 1.0
CE1 C:HIS203 4.9 55.5 1.0
CB C:HIS203 4.9 42.3 1.0
CG A:HIS255 5.0 45.4 1.0

Reference:

K.A.Kumar, D.Pahwa. Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 3,4-Dihydroxybenzoate and Nad. To Be Published.
Page generated: Sat Oct 5 08:41:47 2024

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