Zinc 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:

Chlorine (Cl) 1 atom

Zinc Binding Sites:

The binding sites of Zinc 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 Zinc atom.
In total 3 binding sites of Zinc where determined in the Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 2,5-Dihydroxybenzoate., PDB code: 8zi8:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in 8zi8

Go back to Zinc Binding Sites List in 8zi8
Zinc binding site 1 out of 3 in the Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 2,5-Dihydroxybenzoate.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn 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
A:Zn403

b:27.2
occ:1.00
 HE2 A:HIS159 1.0 30.0 0.0
HE2 A:HIS255 1.3 30.0 0.0
OAB A:GTQ402 1.9 12.0 1.0
NE2 A:HIS159 1.9 2.5 1.0
NE2 A:HIS255 2.1 2.2 1.0
CAH A:GTQ402 2.6 10.8 1.0
CAK A:GTQ402 2.6 10.1 1.0
CE1 A:HIS159 2.8 2.5 1.0
HE1 A:HIS159 3.0 2.6 1.0
CD2 A:HIS159 3.0 2.2 1.0
CE1 A:HIS255 3.1 1.9 1.0
CD2 A:HIS255 3.1 2.0 1.0
CAG A:GTQ402 3.1 10.0 1.0
HD2 A:HIS159 3.2 2.2 1.0
HAG A:GTQ402 3.3 10.0 1.0
HD2 A:HIS255 3.3 2.0 1.0
HE1 A:HIS255 3.3 2.0 1.0
CAJ A:GTQ402 3.3 10.0 1.0
HE2 A:HIS259 3.4 30.0 0.0
HD2 A:HIS259 3.7 2.3 1.0
OAD A:GTQ402 3.7 10.5 1.0
NE2 A:HIS259 3.8 2.4 1.0
OAA A:GTQ402 3.8 11.4 1.0
CD2 A:HIS259 3.9 2.3 1.0
ND1 A:HIS159 4.0 2.3 1.0
CAI A:GTQ402 4.0 10.4 1.0
CG A:HIS159 4.1 2.0 1.0
ND1 A:HIS255 4.2 1.9 1.0
CAF A:GTQ402 4.2 9.7 1.0
CG A:HIS255 4.2 1.8 1.0
CAE A:GTQ402 4.5 10.0 1.0
HZ3 A:LYS263 4.5 4.7 1.0
HG A:LEU158 4.7 1.7 1.0
HD1 A:HIS159 4.8 30.0 0.0
HD12 A:LEU158 4.8 1.8 1.0
CE1 A:HIS259 4.8 2.4 1.0
HAF A:GTQ402 4.9 9.6 1.0
OAC A:GTQ402 5.0 11.6 1.0
HD1 A:HIS255 5.0 30.0 0.0

Zinc binding site 2 out of 3 in 8zi8

Go back to Zinc Binding Sites List in 8zi8
Zinc binding site 2 out of 3 in the Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 2,5-Dihydroxybenzoate.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 2,5-Dihydroxybenzoate. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn401

b:53.7
occ:1.00
 HE2 C:HIS255 1.4 30.0 0.0
HE2 B:HIS203 1.5 30.0 0.0
HE2 C:HIS159 2.0 30.0 0.0
NE2 C:HIS255 2.2 5.2 1.0
NE2 B:HIS203 2.2 2.1 1.0
NE2 C:HIS159 2.8 4.8 1.0
HE2 C:HIS259 2.8 30.0 0.0
HE1 B:HIS203 2.9 2.2 1.0
CE1 B:HIS203 2.9 2.2 1.0
CD2 C:HIS255 3.1 5.1 1.0
HD2 C:HIS255 3.2 5.1 1.0
NE2 C:HIS259 3.3 3.3 1.0
CE1 C:HIS255 3.3 5.3 1.0
HD2 C:HIS259 3.3 3.3 1.0
CD2 B:HIS203 3.4 2.3 1.0
CD2 C:HIS259 3.5 3.3 1.0
HE1 C:HIS255 3.5 5.3 1.0
CE1 C:HIS159 3.6 4.9 1.0
HE1 C:HIS159 3.7 4.8 1.0
HD2 B:HIS203 3.7 2.3 1.0
CD2 C:HIS159 3.8 4.8 1.0
HD2 C:HIS159 4.0 4.7 1.0
ND1 B:HIS203 4.1 2.3 1.0
CG C:HIS255 4.3 4.9 1.0
CE1 C:HIS259 4.3 3.2 1.0
ND1 C:HIS255 4.4 5.2 1.0
CG B:HIS203 4.4 2.4 1.0
HZ3 C:LYS263 4.5 2.9 1.0
HZ2 C:LYS263 4.5 2.9 1.0
CG C:HIS259 4.7 3.2 1.0
HE1 C:HIS259 4.7 3.2 1.0
ND1 C:HIS159 4.8 4.8 1.0
HD1 B:HIS203 4.8 30.0 0.0
NZ C:LYS263 4.9 3.0 1.0
HD22 C:LEU144 4.9 4.0 1.0
CG C:HIS159 4.9 4.7 1.0
OD2 B:ASP239 4.9 3.9 1.0
HZ1 C:LYS263 4.9 2.9 1.0
HD12 C:LEU158 4.9 4.0 1.0
HG C:LEU158 5.0 4.0 1.0

Zinc binding site 3 out of 3 in 8zi8

Go back to Zinc Binding Sites List in 8zi8
Zinc binding site 3 out of 3 in the Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 2,5-Dihydroxybenzoate.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 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:Zn405

b:28.5
occ:1.00
 HE2 D:HIS159 1.0 30.0 0.0
HE2 D:HIS255 1.4 30.0 0.0
NE2 D:HIS159 1.9 2.7 1.0
NE2 D:HIS255 2.1 3.3 1.0
OAA D:GTQ401 2.5 9.7 1.0
CAK D:GTQ401 2.6 10.0 1.0
CAH D:GTQ401 2.8 9.5 1.0
CE1 D:HIS159 2.9 2.3 1.0
CD2 D:HIS159 3.0 2.3 1.0
CAJ D:GTQ401 3.0 9.8 1.0
HE1 D:HIS159 3.0 2.4 1.0
CD2 D:HIS255 3.1 3.1 1.0
CAG D:GTQ401 3.1 10.8 1.0
CE1 D:HIS255 3.1 3.3 1.0
HD2 D:HIS159 3.2 2.3 1.0
HD2 D:HIS255 3.2 3.2 1.0
HE1 D:HIS255 3.4 3.2 1.0
OAD D:GTQ401 3.4 9.4 1.0
HAG D:GTQ401 3.4 10.5 1.0
HE2 D:HIS259 3.4 30.0 0.0
HD2 D:HIS259 3.8 2.7 1.0
CAF D:GTQ401 3.8 10.2 1.0
NE2 D:HIS259 3.8 2.7 1.0
OAB D:GTQ401 3.8 9.0 1.0
CAI D:GTQ401 3.9 10.7 1.0
ND1 D:HIS159 4.0 2.0 1.0
CD2 D:HIS259 4.0 2.6 1.0
CG D:HIS159 4.1 1.9 1.0
CAE D:GTQ401 4.2 10.6 1.0
ND1 D:HIS255 4.2 3.1 1.0
CG D:HIS255 4.2 3.0 1.0
HAF D:GTQ401 4.4 10.1 1.0
HG D:LEU158 4.8 1.4 1.0
HD1 D:HIS159 4.8 30.0 0.0
CE1 D:HIS259 4.8 2.7 1.0
OAC D:GTQ401 4.9 11.5 1.0
HAE D:GTQ401 4.9 10.4 1.0
HD12 D:LEU158 5.0 1.5 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 14:11:26 2024

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