Chlorine in PDB 8zi8: Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 2,5-Dihydroxybenzoate.

Enzymatic activity of Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 2,5-Dihydroxybenzoate.

All present enzymatic activity of Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 2,5-Dihydroxybenzoate.:
1.1.1.262;

Protein crystallography data

The structure of Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 2,5-Dihydroxybenzoate., PDB code: 8zi8 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 (°) 86.549, 94.717, 166.714, 90, 90, 90
R / Rfree (%) 26 / 29.5

Other elements in 8zi8:

The structure of Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 2,5-Dihydroxybenzoate. also contains other interesting chemical elements:

Zinc (Zn) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 2,5-Dihydroxybenzoate. (pdb code 8zi8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 2,5-Dihydroxybenzoate., PDB code: 8zi8:

Chlorine binding site 1 out of 1 in 8zi8

Go back to Chlorine Binding Sites List in 8zi8
Chlorine binding site 1 out of 1 in the Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 2,5-Dihydroxybenzoate.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 2,5-Dihydroxybenzoate. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl406

b:43.8
occ:1.00
 H D:GLY69 2.5 1.4 1.0
HB3 D:GLN90 3.2 1.5 1.0
HA D:ALA68 3.2 1.3 1.0
N D:GLY69 3.3 1.4 1.0
HA2 D:GLY69 3.8 1.5 1.0
H D:SER70 3.9 1.7 1.0
CD D:GLN90 3.9 1.8 1.0
OE1 D:GLN90 4.0 1.8 1.0
CB D:GLN90 4.0 1.5 1.0
CA D:ALA68 4.0 1.3 1.0
HG2 D:GLN90 4.1 1.6 1.0
HB3 D:ALA68 4.1 1.3 1.0
C D:ALA68 4.1 1.2 1.0
CA D:GLY69 4.2 1.4 1.0
CG D:GLN90 4.2 1.6 1.0
NE2 D:GLN90 4.3 2.3 1.0
HB2 D:GLN90 4.3 1.5 1.0
O A:HOH535 4.3 31.1 1.0
HE21 A:GLN90 4.4 1.4 1.0
HE21 D:GLN90 4.5 2.2 1.0
CB D:ALA68 4.6 1.3 1.0
HE22 D:GLN90 4.7 2.2 1.0
NE2 A:GLN90 4.7 1.4 1.0
N D:SER70 4.7 1.7 1.0
HE22 A:GLN90 4.7 1.4 1.0
HB1 D:ALA68 4.9 1.3 1.0
HA3 D:GLY69 4.9 1.5 1.0
O D:HOH520 4.9 15.6 1.0

Reference:

K.A.Kumar, D.Pahwa. Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 2,5-Dihydroxybenzoate. To Be Published.
Page generated: Thu Oct 31 18:08:53 2024

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