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Zinc in PDB 4uek: Galactitol-1-Phosphate 5-Dehydrogenase From E. Coli with Tris Within the Active Site.

Enzymatic activity of Galactitol-1-Phosphate 5-Dehydrogenase From E. Coli with Tris Within the Active Site.

All present enzymatic activity of Galactitol-1-Phosphate 5-Dehydrogenase From E. Coli with Tris Within the Active Site.:
1.1.1.251;

Protein crystallography data

The structure of Galactitol-1-Phosphate 5-Dehydrogenase From E. Coli with Tris Within the Active Site., PDB code: 4uek was solved by R.Benavente, M.Esteban-Torres, G.W.Kohring, A.Cortes-Cabrera, F.Gago, I.Acebron, B.De Las Rivas, R.Munoz, J.M.Mancheno, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.455 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 65.568, 78.896, 68.572, 90.00, 94.59, 90.00
R / Rfree (%) 20.18 / 25.77

Zinc Binding Sites:

The binding sites of Zinc atom in the Galactitol-1-Phosphate 5-Dehydrogenase From E. Coli with Tris Within the Active Site. (pdb code 4uek). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 5 binding sites of Zinc where determined in the Galactitol-1-Phosphate 5-Dehydrogenase From E. Coli with Tris Within the Active Site., PDB code: 4uek:
Jump to Zinc binding site number: 1; 2; 3; 4; 5;

Zinc binding site 1 out of 5 in 4uek

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Zinc binding site 1 out of 5 in the Galactitol-1-Phosphate 5-Dehydrogenase From E. Coli with Tris Within the Active Site.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Galactitol-1-Phosphate 5-Dehydrogenase From E. Coli with Tris Within the Active Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1347

b:27.5
occ:1.00
 O A:HOH2051 2.1 16.3 1.0
NE2 A:HIS59 2.2 15.1 1.0
O1 A:TRS1350 2.3 24.5 1.0
C3 A:TRS1350 2.3 31.1 1.0
SG A:CYS38 2.4 18.1 1.0
O3 A:TRS1350 2.7 41.7 1.0
CD2 A:HIS59 3.1 11.2 1.0
C1 A:TRS1350 3.2 25.6 1.0
C A:TRS1350 3.2 32.6 1.0
CE1 A:HIS59 3.3 15.1 1.0
CB A:CYS38 3.4 19.2 1.0
OG A:SER40 3.7 25.5 1.0
OE2 A:GLU60 3.7 21.7 1.0
N A:TRS1350 3.8 37.1 1.0
OE1 A:GLU144 3.9 18.0 1.0
OE2 A:GLU144 4.2 16.3 1.0
CG A:HIS59 4.3 10.8 1.0
ND1 A:HIS59 4.4 14.5 1.0
CD A:GLU144 4.5 16.0 1.0
C2 A:TRS1350 4.5 31.8 1.0
O2 A:TRS1350 4.5 28.3 1.0
CD A:GLU60 4.5 23.0 1.0
CG A:GLU60 4.6 12.2 1.0
CB A:SER40 4.8 24.9 1.0
CA A:CYS38 4.8 18.0 1.0
CD1 A:ILE172 4.9 31.6 1.0

Zinc binding site 2 out of 5 in 4uek

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Zinc binding site 2 out of 5 in the Galactitol-1-Phosphate 5-Dehydrogenase From E. Coli with Tris Within the Active Site.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Galactitol-1-Phosphate 5-Dehydrogenase From E. Coli with Tris Within the Active Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1348

b:23.4
occ:1.00
 SG A:CYS95 2.3 17.1 1.0
SG A:CYS92 2.4 15.3 1.0
SG A:CYS89 2.4 14.3 1.0
SG A:CYS103 2.4 18.4 1.0
CB A:CYS103 3.1 13.4 1.0
CB A:CYS95 3.4 23.2 1.0
CB A:CYS92 3.5 17.6 1.0
CB A:CYS89 3.5 14.7 1.0
N A:CYS89 3.5 16.6 1.0
N A:PHE90 3.7 17.5 1.0
CA A:CYS103 3.8 17.6 1.0
N A:CYS92 3.8 14.2 1.0
CA A:CYS89 3.9 16.2 1.0
C A:CYS89 4.2 13.5 1.0
CA A:CYS92 4.2 16.6 1.0
N A:THR91 4.3 15.5 1.0
N A:CYS95 4.3 17.1 1.0
N A:ALA104 4.3 39.7 1.0
CA A:CYS95 4.4 17.7 1.0
C A:CYS103 4.5 25.9 1.0
CA A:PHE90 4.6 20.7 1.0
C A:PRO88 4.7 15.2 1.0
N A:LYS105 4.8 36.3 1.0
CB A:PRO88 4.8 20.5 1.0
C A:PHE90 4.9 18.7 1.0
C A:CYS92 4.9 14.3 1.0
O A:CYS92 4.9 14.1 1.0
C A:THR91 5.0 13.5 1.0

Zinc binding site 3 out of 5 in 4uek

Go back to Zinc Binding Sites List in 4uek
Zinc binding site 3 out of 5 in the Galactitol-1-Phosphate 5-Dehydrogenase From E. Coli with Tris Within the Active Site.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Galactitol-1-Phosphate 5-Dehydrogenase From E. Coli with Tris Within the Active Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1349

b:38.7
occ:1.00
 ND1 B:HIS267 2.0 23.2 1.0
ND1 A:HIS267 2.1 34.0 1.0
O A:HOH2211 2.2 8.2 1.0
CE1 B:HIS267 2.9 28.4 1.0
CE1 A:HIS267 2.9 30.1 1.0
CG B:HIS267 3.1 27.8 1.0
CG A:HIS267 3.2 28.8 1.0
CB B:HIS267 3.6 22.9 1.0
CB A:HIS267 3.6 21.5 1.0
NE2 B:HIS267 4.0 29.9 1.0
NE2 A:HIS267 4.1 28.8 1.0
CD2 B:HIS267 4.2 24.3 1.0
CD2 A:HIS267 4.2 31.9 1.0
CA A:HIS267 4.6 19.4 1.0
CA B:HIS267 4.7 20.5 1.0

Zinc binding site 4 out of 5 in 4uek

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Zinc binding site 4 out of 5 in the Galactitol-1-Phosphate 5-Dehydrogenase From E. Coli with Tris Within the Active Site.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Galactitol-1-Phosphate 5-Dehydrogenase From E. Coli with Tris Within the Active Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn1347

b:23.1
occ:1.00
 SG B:CYS89 2.3 14.8 1.0
SG B:CYS92 2.3 15.2 1.0
SG B:CYS95 2.4 17.9 1.0
SG B:CYS103 2.5 25.3 1.0
CB B:CYS103 3.3 24.4 1.0
CB B:CYS95 3.4 16.4 1.0
CB B:CYS92 3.4 15.9 1.0
CB B:CYS89 3.5 20.0 1.0
N B:CYS89 3.5 13.3 1.0
N B:PHE90 3.7 14.7 1.0
N B:CYS92 3.8 16.3 1.0
CA B:CYS89 3.9 18.7 1.0
CA B:CYS103 4.0 26.2 1.0
C B:CYS89 4.2 20.5 1.0
CA B:CYS92 4.2 18.5 1.0
N B:THR91 4.3 15.8 1.0
N B:CYS95 4.4 15.8 1.0
CA B:CYS95 4.4 23.1 1.0
CA B:PHE90 4.6 19.1 1.0
C B:PRO88 4.7 15.4 1.0
N B:ALA104 4.7 37.2 1.0
C B:CYS103 4.8 33.0 1.0
O B:CYS92 4.8 16.8 1.0
C B:CYS92 4.9 18.1 1.0
CB B:PRO88 4.9 19.2 1.0
C B:PHE90 4.9 17.5 1.0
C B:THR91 4.9 20.0 1.0

Zinc binding site 5 out of 5 in 4uek

Go back to Zinc Binding Sites List in 4uek
Zinc binding site 5 out of 5 in the Galactitol-1-Phosphate 5-Dehydrogenase From E. Coli with Tris Within the Active Site.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Galactitol-1-Phosphate 5-Dehydrogenase From E. Coli with Tris Within the Active Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn1348

b:27.1
occ:1.00
 O B:HOH2036 2.0 15.7 1.0
NE2 B:HIS59 2.1 16.3 1.0
O1 B:TRS1349 2.2 18.2 1.0
C3 B:TRS1349 2.3 23.4 1.0
SG B:CYS38 2.4 21.6 1.0
O3 B:TRS1349 2.9 42.2 1.0
CD2 B:HIS59 3.1 12.5 1.0
C1 B:TRS1349 3.1 20.8 1.0
CE1 B:HIS59 3.2 15.0 1.0
C B:TRS1349 3.2 28.4 1.0
CB B:CYS38 3.5 19.1 1.0
OG B:SER40 3.7 27.1 1.0
OE2 B:GLU60 3.8 22.4 1.0
N B:TRS1349 3.9 35.9 1.0
OE1 B:GLU144 4.0 23.9 1.0
CG B:HIS59 4.2 12.5 1.0
ND1 B:HIS59 4.3 16.5 1.0
OE2 B:GLU144 4.3 22.2 1.0
C2 B:TRS1349 4.5 33.4 1.0
O2 B:TRS1349 4.5 28.5 1.0
CD B:GLU60 4.6 23.9 1.0
CD B:GLU144 4.6 10.7 1.0
CG B:GLU60 4.7 17.3 1.0
CB B:SER40 4.8 25.8 1.0
CA B:CYS38 4.9 19.6 1.0

Reference:

R.Benavente, M.Esteban-Torres, G.W.Kohring, A.Cortes-Cabrera, P.A.Sanchez-Murcia, F.Gago, I.Acebron, B.De Las Rivas, R.Munoz, J.M.Mancheno. Enantioselective Oxidation of Galactitol 1-Phosphate By Galactitol-1-Phosphate 5-Dehydrogenase From Escherichia Coli Acta Crystallogr.,Sect.D V. 71 1540 2015.
ISSN: ISSN 0907-4449
PubMed: 26143925
DOI: 10.1107/S1399004715009281
Page generated: Wed Dec 16 05:48:16 2020

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