Zinc in PDB 8zj3: Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 4-Hydroxybenzoate.
Enzymatic activity of Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 4-Hydroxybenzoate.
All present enzymatic activity of Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 4-Hydroxybenzoate.:
1.1.1.262;
Protein crystallography data
The structure of Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 4-Hydroxybenzoate., PDB code: 8zj3
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)
|
20.00 /
2.90
|
Space group
|
P 2 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
86.831,
94.332,
168.433,
90,
90,
90
|
R / Rfree (%)
|
23.8 /
27.9
|
Other elements in 8zj3:
The structure of Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 4-Hydroxybenzoate. also contains other interesting chemical elements:
Zinc Binding Sites:
The binding sites of Zinc atom in the Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 4-Hydroxybenzoate.
(pdb code 8zj3). 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 4-Hydroxybenzoate., PDB code: 8zj3:
Jump to Zinc binding site number:
1;
2;
3;
4;
Zinc binding site 1 out
of 4 in 8zj3
Go back to
Zinc Binding Sites List in 8zj3
Zinc binding site 1 out
of 4 in the Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 4-Hydroxybenzoate.
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 4-Hydroxybenzoate. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn402
b:31.5
occ:1.00
|
HE2
|
A:HIS159
|
1.4
|
30.0
|
0.0
|
HE2
|
A:HIS255
|
1.8
|
30.0
|
0.0
|
NE2
|
A:HIS159
|
2.2
|
0.5
|
1.0
|
NE2
|
A:HIS255
|
2.6
|
0.5
|
1.0
|
O
|
A:HOH561
|
2.9
|
24.5
|
1.0
|
CE1
|
A:HIS159
|
2.9
|
0.5
|
1.0
|
HE1
|
A:HIS159
|
3.0
|
0.5
|
1.0
|
HE2
|
A:HIS259
|
3.1
|
30.0
|
0.0
|
CD2
|
A:HIS159
|
3.3
|
0.5
|
1.0
|
NE2
|
A:HIS259
|
3.4
|
0.5
|
1.0
|
HD2
|
A:HIS255
|
3.4
|
0.5
|
1.0
|
CD2
|
A:HIS255
|
3.4
|
0.5
|
1.0
|
HD2
|
A:HIS259
|
3.6
|
0.5
|
1.0
|
HD2
|
A:HIS159
|
3.6
|
0.5
|
1.0
|
CE1
|
A:HIS255
|
3.7
|
0.5
|
1.0
|
CD2
|
A:HIS259
|
3.7
|
0.5
|
1.0
|
HE1
|
A:HIS255
|
3.9
|
0.5
|
1.0
|
ND1
|
A:HIS159
|
4.1
|
0.5
|
1.0
|
CG
|
A:HIS159
|
4.4
|
0.5
|
1.0
|
CE1
|
A:HIS259
|
4.4
|
0.5
|
1.0
|
HD12
|
A:LEU158
|
4.5
|
0.5
|
1.0
|
CG
|
A:HIS255
|
4.7
|
0.5
|
1.0
|
ND1
|
A:HIS255
|
4.7
|
0.5
|
1.0
|
HE1
|
A:HIS259
|
4.8
|
0.5
|
1.0
|
CG
|
A:HIS259
|
4.8
|
0.5
|
1.0
|
HZ3
|
A:LYS263
|
4.8
|
0.5
|
1.0
|
HD1
|
A:HIS159
|
4.9
|
30.0
|
0.0
|
HG
|
A:LEU158
|
5.0
|
0.5
|
1.0
|
|
Zinc binding site 2 out
of 4 in 8zj3
Go back to
Zinc Binding Sites List in 8zj3
Zinc binding site 2 out
of 4 in the Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 4-Hydroxybenzoate.
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 4-Hydroxybenzoate. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn401
b:51.2
occ:1.00
|
HE2
|
B:HIS159
|
2.4
|
30.0
|
0.0
|
HE2
|
C:HIS203
|
2.5
|
30.0
|
0.0
|
HE2
|
B:HIS255
|
2.7
|
30.0
|
0.0
|
O
|
B:HOH534
|
2.9
|
15.8
|
1.0
|
HE2
|
B:HIS259
|
3.0
|
30.0
|
0.0
|
HD2
|
B:HIS259
|
3.2
|
0.5
|
1.0
|
NE2
|
B:HIS159
|
3.2
|
0.5
|
1.0
|
NE2
|
C:HIS203
|
3.2
|
0.5
|
1.0
|
HE1
|
C:HIS203
|
3.4
|
0.5
|
1.0
|
NE2
|
B:HIS259
|
3.4
|
0.5
|
1.0
|
HE1
|
B:HIS159
|
3.5
|
0.5
|
1.0
|
NE2
|
B:HIS255
|
3.5
|
0.5
|
1.0
|
CD2
|
B:HIS259
|
3.6
|
0.5
|
1.0
|
HZ3
|
B:LYS263
|
3.6
|
0.5
|
1.0
|
CE1
|
C:HIS203
|
3.7
|
0.5
|
1.0
|
CE1
|
B:HIS159
|
3.7
|
0.5
|
1.0
|
HZ1
|
B:LYS263
|
4.1
|
0.5
|
1.0
|
NZ
|
B:LYS263
|
4.3
|
0.5
|
1.0
|
HE1
|
B:HIS255
|
4.4
|
0.5
|
1.0
|
CE1
|
B:HIS255
|
4.4
|
0.5
|
1.0
|
CD2
|
B:HIS159
|
4.4
|
0.5
|
1.0
|
CD2
|
C:HIS203
|
4.4
|
0.5
|
1.0
|
CD2
|
B:HIS255
|
4.5
|
0.5
|
1.0
|
HD2
|
B:HIS255
|
4.6
|
0.5
|
1.0
|
CE1
|
B:HIS259
|
4.6
|
0.5
|
1.0
|
HD2
|
B:HIS159
|
4.7
|
0.5
|
1.0
|
HZ2
|
B:LYS263
|
4.7
|
0.5
|
1.0
|
HD2
|
C:HIS203
|
4.8
|
0.5
|
1.0
|
CG
|
B:HIS259
|
4.8
|
0.5
|
1.0
|
OD2
|
C:ASP239
|
4.9
|
0.5
|
1.0
|
ND1
|
C:HIS203
|
4.9
|
0.5
|
1.0
|
|
Zinc binding site 3 out
of 4 in 8zj3
Go back to
Zinc Binding Sites List in 8zj3
Zinc binding site 3 out
of 4 in the Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 4-Hydroxybenzoate.
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 4-Hydroxybenzoate. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn401
b:36.7
occ:1.00
|
HE2
|
C:HIS159
|
1.3
|
30.0
|
0.0
|
HE2
|
B:HIS203
|
1.7
|
30.0
|
0.0
|
HE2
|
C:HIS255
|
1.8
|
30.0
|
0.0
|
NE2
|
C:HIS159
|
2.1
|
0.5
|
1.0
|
NE2
|
B:HIS203
|
2.5
|
0.5
|
1.0
|
NE2
|
C:HIS255
|
2.6
|
0.5
|
1.0
|
HE1
|
B:HIS203
|
2.9
|
0.5
|
1.0
|
CE1
|
C:HIS159
|
2.9
|
0.5
|
1.0
|
HE1
|
C:HIS159
|
3.0
|
0.5
|
1.0
|
HE2
|
C:HIS259
|
3.0
|
30.0
|
0.0
|
CE1
|
B:HIS203
|
3.1
|
0.5
|
1.0
|
CD2
|
C:HIS159
|
3.3
|
0.5
|
1.0
|
NE2
|
C:HIS259
|
3.3
|
0.5
|
1.0
|
HD2
|
C:HIS255
|
3.4
|
0.5
|
1.0
|
CD2
|
C:HIS255
|
3.4
|
0.5
|
1.0
|
HD2
|
C:HIS259
|
3.5
|
0.5
|
1.0
|
HD2
|
C:HIS159
|
3.6
|
0.5
|
1.0
|
CD2
|
C:HIS259
|
3.7
|
0.5
|
1.0
|
CE1
|
C:HIS255
|
3.7
|
0.5
|
1.0
|
CD2
|
B:HIS203
|
3.8
|
0.5
|
1.0
|
HE1
|
C:HIS255
|
4.0
|
0.5
|
1.0
|
HD2
|
B:HIS203
|
4.1
|
0.5
|
1.0
|
ND1
|
C:HIS159
|
4.1
|
0.5
|
1.0
|
CE1
|
C:HIS259
|
4.3
|
0.5
|
1.0
|
ND1
|
B:HIS203
|
4.3
|
0.5
|
1.0
|
CG
|
C:HIS159
|
4.4
|
0.5
|
1.0
|
HD12
|
C:LEU158
|
4.5
|
0.5
|
1.0
|
HZ2
|
C:LYS263
|
4.6
|
0.5
|
1.0
|
CG
|
C:HIS255
|
4.7
|
0.5
|
1.0
|
HE1
|
C:HIS259
|
4.7
|
0.5
|
1.0
|
CG
|
B:HIS203
|
4.7
|
0.5
|
1.0
|
CG
|
C:HIS259
|
4.7
|
0.5
|
1.0
|
HZ3
|
C:LYS263
|
4.7
|
0.5
|
1.0
|
ND1
|
C:HIS255
|
4.8
|
0.5
|
1.0
|
HD1
|
C:HIS159
|
4.9
|
30.0
|
0.0
|
HG
|
C:LEU158
|
5.0
|
0.5
|
1.0
|
HD22
|
C:LEU144
|
5.0
|
0.5
|
1.0
|
|
Zinc binding site 4 out
of 4 in 8zj3
Go back to
Zinc Binding Sites List in 8zj3
Zinc binding site 4 out
of 4 in the Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 4-Hydroxybenzoate.
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 4-Hydroxybenzoate. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn403
b:29.1
occ:1.00
|
HE2
|
D:HIS159
|
1.1
|
30.0
|
0.0
|
HE2
|
D:HIS255
|
1.5
|
30.0
|
0.0
|
NE2
|
D:HIS159
|
2.0
|
0.5
|
1.0
|
NE2
|
D:HIS255
|
2.2
|
0.5
|
1.0
|
O1'
|
D:PHB401
|
2.3
|
0.5
|
1.0
|
H6
|
D:PHB401
|
2.8
|
0.5
|
1.0
|
C1
|
D:PHB401
|
2.9
|
0.5
|
1.0
|
C1'
|
D:PHB401
|
2.9
|
0.5
|
1.0
|
CE1
|
D:HIS159
|
2.9
|
0.5
|
1.0
|
C6
|
D:PHB401
|
3.0
|
0.5
|
1.0
|
CD2
|
D:HIS159
|
3.0
|
0.5
|
1.0
|
CD2
|
D:HIS255
|
3.0
|
0.5
|
1.0
|
HD2
|
D:HIS255
|
3.1
|
0.5
|
1.0
|
HE1
|
D:HIS159
|
3.1
|
0.5
|
1.0
|
HE2
|
D:HIS259
|
3.2
|
30.0
|
0.0
|
HD2
|
D:HIS159
|
3.2
|
0.5
|
1.0
|
CE1
|
D:HIS255
|
3.3
|
0.5
|
1.0
|
NE2
|
D:HIS259
|
3.5
|
0.5
|
1.0
|
HE1
|
D:HIS255
|
3.6
|
0.5
|
1.0
|
HD2
|
D:HIS259
|
3.6
|
0.5
|
1.0
|
CD2
|
D:HIS259
|
3.7
|
0.5
|
1.0
|
C2
|
D:PHB401
|
3.8
|
0.5
|
1.0
|
C5
|
D:PHB401
|
3.9
|
0.5
|
1.0
|
O2'
|
D:PHB401
|
4.0
|
0.5
|
1.0
|
ND1
|
D:HIS159
|
4.0
|
0.5
|
1.0
|
CG
|
D:HIS159
|
4.1
|
0.5
|
1.0
|
CG
|
D:HIS255
|
4.2
|
0.5
|
1.0
|
H2
|
D:PHB401
|
4.2
|
0.5
|
1.0
|
H5
|
D:PHB401
|
4.3
|
0.5
|
1.0
|
ND1
|
D:HIS255
|
4.3
|
0.5
|
1.0
|
CE1
|
D:HIS259
|
4.3
|
0.5
|
1.0
|
HD12
|
D:LEU158
|
4.5
|
0.5
|
1.0
|
C3
|
D:PHB401
|
4.6
|
0.5
|
1.0
|
C4
|
D:PHB401
|
4.6
|
0.5
|
1.0
|
CG
|
D:HIS259
|
4.7
|
0.5
|
1.0
|
HE1
|
D:HIS259
|
4.7
|
0.5
|
1.0
|
HD1
|
D:HIS159
|
4.8
|
30.0
|
0.0
|
HZ3
|
D:LYS263
|
4.8
|
0.5
|
1.0
|
HG
|
D:LEU158
|
4.9
|
0.5
|
1.0
|
ND1
|
D:HIS259
|
5.0
|
0.5
|
1.0
|
|
Reference:
K.A.Kumar,
D.Pahwa.
Terephthalate 1,2-Cis-Dihydrodioldehydrogenase/Decarboxylase in Complex with 4-Hydroxybenzoate. To Be Published.
Page generated: Thu Oct 31 14:14:28 2024
|