Zinc in PDB 8zj5: Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 3,4-Dihydroxybenzoate.

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

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

Protein crystallography data

The structure of Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 3,4-Dihydroxybenzoate., PDB code: 8zj5 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) 23.72 / 2.80
Space group P 2 21 21
Cell size a, b, c (Å), α, β, γ (°) 87.041, 94.469, 167.425, 90, 90, 90
R / Rfree (%) 26 / 30.3

Zinc Binding Sites:

The binding sites of Zinc atom in the Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 3,4-Dihydroxybenzoate. (pdb code 8zj5). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 3,4-Dihydroxybenzoate., PDB code: 8zj5:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 8zj5

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Zinc binding site 1 out of 4 in the Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 3,4-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 3,4-Dihydroxybenzoate. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn401

b:52.4
occ:1.00
 HE2 B:HIS159 2.3 30.0 0.0
HE2 B:HIS259 2.4 30.0 0.0
O B:HOH533 2.6 20.1 1.0
O B:HOH527 2.6 10.0 1.0
HE2 B:HIS255 2.6 30.0 0.0
HE1 B:HIS159 2.9 19.2 1.0
HE2 C:HIS203 2.9 30.0 0.0
NE2 B:HIS159 3.0 20.0 1.0
HD2 B:HIS259 3.0 20.2 1.0
NE2 B:HIS259 3.0 20.0 1.0
CE1 B:HIS159 3.2 19.6 1.0
CD2 B:HIS259 3.3 20.1 1.0
NE2 B:HIS255 3.4 20.1 1.0
HE1 C:HIS203 3.6 36.9 1.0
NE2 C:HIS203 3.7 38.2 1.0
CE1 C:HIS203 4.0 37.3 1.0
HZ3 B:LYS263 4.0 20.8 1.0
CE1 B:HIS259 4.3 20.2 1.0
CD2 B:HIS159 4.3 20.6 1.0
CD2 B:HIS255 4.3 20.2 1.0
HD2 B:HIS255 4.3 20.1 1.0
CE1 B:HIS255 4.3 20.5 1.0
HE1 B:HIS255 4.4 20.7 1.0
HD12 B:LEU158 4.4 20.2 1.0
ND1 B:HIS159 4.5 20.0 1.0
HD23 B:LEU144 4.6 19.2 1.0
HD22 B:LEU144 4.6 19.4 1.0
CG B:HIS259 4.6 20.4 1.0
HE1 B:HIS259 4.7 20.1 1.0
HD2 B:HIS159 4.7 21.0 1.0
HZ1 B:LYS263 4.8 21.1 1.0
NZ B:LYS263 4.8 21.1 1.0
CD2 B:LEU144 4.9 19.4 1.0
HD21 B:LEU144 5.0 19.6 1.0
CD2 C:HIS203 5.0 38.1 1.0

Zinc binding site 2 out of 4 in 8zj5

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Zinc binding site 2 out of 4 in the Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 3,4-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 3,4-Dihydroxybenzoate. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn402

b:31.1
occ:1.00
 HE2 C:HIS159 1.3 30.0 0.0
HE2 B:HIS203 1.4 30.0 0.0
HE2 C:HIS255 1.7 30.0 0.0
NE2 C:HIS159 2.1 18.8 1.0
NE2 B:HIS203 2.2 31.1 1.0
O1 C:DHB401 2.3 25.9 1.0
NE2 C:HIS255 2.5 18.3 1.0
HE1 B:HIS203 2.6 32.7 1.0
CE1 B:HIS203 2.7 32.1 1.0
CE1 C:HIS159 3.0 18.6 1.0
HE1 C:HIS159 3.1 18.4 1.0
CD2 C:HIS159 3.2 19.0 1.0
C C:DHB401 3.2 26.0 1.0
HE2 C:HIS259 3.3 30.0 0.0
CE1 C:HIS255 3.4 18.8 1.0
HD2 C:HIS159 3.4 19.4 1.0
CD2 B:HIS203 3.5 30.6 1.0
HD2 C:HIS259 3.5 18.4 1.0
HE1 C:HIS255 3.5 18.9 1.0
CD2 C:HIS255 3.5 18.4 1.0
O2 C:DHB401 3.6 27.0 1.0
HD2 C:HIS255 3.7 18.2 1.0
NE2 C:HIS259 3.7 18.1 1.0
CD2 C:HIS259 3.8 18.4 1.0
HD2 B:HIS203 3.9 29.9 1.0
ND1 B:HIS203 4.0 32.3 1.0
H2 C:DHB401 4.1 24.5 1.0
ND1 C:HIS159 4.2 18.6 1.0
HZ2 C:LYS263 4.2 19.4 1.0
CG C:HIS159 4.3 18.9 1.0
CG B:HIS203 4.4 31.4 1.0
C1 C:DHB401 4.4 25.2 1.0
HZ3 C:LYS263 4.4 18.9 1.0
ND1 C:HIS255 4.6 19.3 1.0
C2 C:DHB401 4.6 24.6 1.0
CG C:HIS255 4.7 18.9 1.0
HD1 B:HIS203 4.7 30.0 0.0
NZ C:LYS263 4.7 19.3 1.0
CE1 C:HIS259 4.8 18.2 1.0
HD12 C:LEU158 4.9 17.5 1.0
HZ1 C:LYS263 4.9 19.3 1.0
HD1 C:HIS159 5.0 30.0 0.0
OD2 B:ASP239 5.0 30.0 1.0
CG C:HIS259 5.0 18.9 1.0

Zinc binding site 3 out of 4 in 8zj5

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Zinc binding site 3 out of 4 in the Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 3,4-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 3,4-Dihydroxybenzoate. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn402

b:27.6
occ:1.00
 HE2 D:HIS159 1.3 30.0 0.0
HE2 D:HIS255 1.6 30.0 0.0
NE2 D:HIS159 2.2 12.0 1.0
O1 D:DHB401 2.3 11.4 0.5
NE2 D:HIS255 2.5 12.0 1.0
H2 D:DHB401 2.6 10.8 0.5
CE1 D:HIS159 3.0 11.6 1.0
HE1 D:HIS159 3.1 11.3 1.0
HE2 D:HIS259 3.1 30.0 0.0
C D:DHB401 3.1 11.3 0.5
C2 D:DHB401 3.2 10.7 0.5
CD2 D:HIS159 3.3 12.3 1.0
HD2 D:HIS259 3.4 11.9 1.0
CE1 D:HIS255 3.5 12.5 1.0
C1 D:DHB401 3.5 10.9 0.5
CD2 D:HIS255 3.5 11.8 1.0
HD2 D:HIS159 3.5 12.7 1.0
NE2 D:HIS259 3.5 11.4 1.0
HE1 D:HIS255 3.6 12.8 1.0
HD2 D:HIS255 3.7 11.5 1.0
CD2 D:HIS259 3.7 11.7 1.0
O2 D:DHB401 4.2 11.7 0.5
ND1 D:HIS159 4.2 11.6 1.0
C3 D:DHB401 4.3 10.4 0.5
CG D:HIS159 4.4 12.1 1.0
ND1 D:HIS255 4.6 12.6 1.0
CE1 D:HIS259 4.7 11.4 1.0
CG D:HIS255 4.7 11.9 1.0
C6 D:DHB401 4.7 10.8 0.5
O3 D:DHB401 4.7 10.3 0.5
HD12 D:LEU158 4.7 10.8 1.0
HZ3 D:LYS263 4.8 13.2 1.0
CG D:HIS259 4.9 11.8 1.0
HD1 D:HIS159 5.0 30.0 0.0

Zinc binding site 4 out of 4 in 8zj5

Go back to Zinc Binding Sites List in 8zj5
Zinc binding site 4 out of 4 in the Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 3,4-Dihydroxybenzoate.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 3,4-Dihydroxybenzoate. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn403

b:40.0
occ:1.00
 HE2 D:HIS203 2.0 30.0 0.0
NE2 D:HIS203 2.8 21.1 1.0
HE1 D:HIS203 3.2 22.7 1.0
CE1 D:HIS203 3.4 22.0 1.0
CD2 D:HIS203 4.0 20.3 1.0
HD2 D:HIS203 4.3 19.6 1.0
ND1 D:HIS203 4.7 21.7 1.0
CG D:HIS203 5.0 20.6 1.0

Reference:

K.A.Kumar, D.Pahwa. Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 3,4-Dihydroxybenzoate. To Be Published.
Page generated: Thu Oct 31 14:15:40 2024

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