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

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

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

Protein crystallography data

The structure of Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 2,4-Dihydroxybenzoate., PDB code: 8zin 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) 24.93 / 2.50
Space group P 2 21 21
Cell size a, b, c (Å), α, β, γ (°) 86.295, 93.632, 165.595, 90, 90, 90
R / Rfree (%) 25.3 / 29

Other elements in 8zin:

The structure of Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 2,4-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 2,4-Dihydroxybenzoate. (pdb code 8zin). 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 2,4-Dihydroxybenzoate., PDB code: 8zin:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 8zin

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Zinc binding site 1 out of 4 in the Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 2,4-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 2,4-Dihydroxybenzoate. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn404

b:22.9
occ:1.00
 O1' A:DOB403 1.9 41.5 1.0
NE2 A:HIS159 2.0 19.4 1.0
NE2 A:HIS255 2.1 18.9 1.0
CD2 A:HIS255 2.9 19.4 1.0
CE1 A:HIS159 3.0 19.1 1.0
CD2 A:HIS159 3.0 18.4 1.0
O2 A:DOB403 3.1 39.0 1.0
C1' A:DOB403 3.1 41.5 1.0
CE1 A:HIS255 3.2 19.2 1.0
NE2 A:HIS259 3.8 21.0 1.0
C2 A:DOB403 3.9 44.5 1.0
CD2 A:HIS259 3.9 19.9 1.0
C1 A:DOB403 3.9 47.3 1.0
O2' A:DOB403 4.0 37.5 1.0
ND1 A:HIS159 4.1 17.9 1.0
CG A:HIS159 4.1 18.0 1.0
CG A:HIS255 4.1 19.6 1.0
ND1 A:HIS255 4.2 19.5 1.0
CE1 A:HIS259 4.7 21.3 1.0
CG A:HIS259 4.8 20.4 1.0

Zinc binding site 2 out of 4 in 8zin

Go back to Zinc Binding Sites List in 8zin
Zinc binding site 2 out of 4 in the Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 2,4-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 2,4-Dihydroxybenzoate. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn401

b:43.1
occ:1.00
 NE2 B:HIS159 2.0 42.8 1.0
NE2 B:HIS255 2.1 33.1 1.0
NE2 C:HIS203 2.4 53.3 1.0
O B:HOH522 2.6 15.6 1.0
CE1 B:HIS159 2.9 41.0 1.0
CD2 B:HIS255 3.0 33.6 1.0
CD2 B:HIS159 3.1 42.6 1.0
O B:HOH520 3.1 15.3 1.0
CE1 B:HIS255 3.2 33.6 1.0
CE1 C:HIS203 3.3 54.6 1.0
CD2 C:HIS203 3.3 47.0 1.0
NE2 B:HIS259 3.7 33.3 1.0
CD2 B:HIS259 3.9 31.6 1.0
ND1 B:HIS159 4.0 41.8 1.0
CG B:HIS159 4.1 41.1 1.0
CG B:HIS255 4.2 32.2 1.0
ND1 B:HIS255 4.3 32.7 1.0
ND1 C:HIS203 4.4 52.2 1.0
CG C:HIS203 4.4 47.5 1.0
CE1 B:HIS259 4.6 33.9 1.0
CD1 B:LEU158 4.7 34.5 1.0
CG B:HIS259 4.8 30.3 1.0
OD2 C:ASP239 4.9 35.8 1.0

Zinc binding site 3 out of 4 in 8zin

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

b:40.0
occ:1.00
 NE2 C:HIS159 2.0 57.8 1.0
NE2 C:HIS255 2.3 40.0 1.0
NE2 B:HIS203 2.4 25.6 1.0
O C:HOH510 2.7 23.8 1.0
CE1 C:HIS159 2.9 61.4 1.0
CE1 B:HIS203 3.0 27.9 1.0
CD2 C:HIS255 3.1 38.0 1.0
CD2 C:HIS159 3.1 57.6 1.0
CE1 C:HIS255 3.4 39.2 1.0
NE2 C:HIS259 3.6 45.0 1.0
CD2 B:HIS203 3.6 29.3 1.0
CD2 C:HIS259 3.7 43.5 1.0
ND1 C:HIS159 4.0 62.0 1.0
CG C:HIS159 4.2 57.8 1.0
ND1 B:HIS203 4.3 31.6 1.0
CG C:HIS255 4.3 37.7 1.0
ND1 C:HIS255 4.4 36.5 1.0
CE1 C:HIS259 4.5 43.6 1.0
O C:HOH522 4.5 25.1 1.0
CG B:HIS203 4.6 31.9 1.0
CG C:HIS259 4.7 42.7 1.0
OD2 B:ASP239 5.0 46.8 1.0

Zinc binding site 4 out of 4 in 8zin

Go back to Zinc Binding Sites List in 8zin
Zinc binding site 4 out of 4 in the Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 2,4-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 2,4-Dihydroxybenzoate. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn404

b:25.4
occ:1.00
 O2' D:DOB401 1.9 36.6 1.0
NE2 D:HIS159 2.0 15.7 1.0
NE2 D:HIS255 2.1 13.7 1.0
O2 D:DOB401 2.5 40.3 1.0
C1' D:DOB401 2.8 36.4 1.0
C2 D:DOB401 2.9 39.1 1.0
CD2 D:HIS159 2.9 15.8 1.0
CD2 D:HIS255 2.9 13.8 1.0
C1 D:DOB401 3.0 39.0 1.0
CE1 D:HIS159 3.1 15.9 1.0
CE1 D:HIS255 3.2 14.2 1.0
NE2 D:HIS259 3.9 16.9 1.0
C3 D:DOB401 4.0 38.5 1.0
O1' D:DOB401 4.0 34.0 1.0
CD2 D:HIS259 4.0 17.1 1.0
CG D:HIS159 4.1 16.0 1.0
CG D:HIS255 4.1 14.5 1.0
ND1 D:HIS159 4.1 15.8 1.0
C6 D:DOB401 4.2 41.9 1.0
ND1 D:HIS255 4.2 14.0 1.0
CE1 D:HIS259 4.8 16.7 1.0
C4 D:DOB401 4.9 38.2 1.0
CG D:HIS259 4.9 18.0 1.0
C5 D:DOB401 5.0 41.5 1.0

Reference:

K.A.Kumar, D.Pahwa. Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 2,4-Dihydroxybenzoate. To Be Published.
Page generated: Thu Oct 31 14:12:43 2024

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