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Zinc in PDB 4ueo: Open State of Galactitol-1-Phosphate 5-Dehydrogenase From E. Coli, with Zinc in the Catalytic Site.

Enzymatic activity of Open State of Galactitol-1-Phosphate 5-Dehydrogenase From E. Coli, with Zinc in the Catalytic Site.

All present enzymatic activity of Open State of Galactitol-1-Phosphate 5-Dehydrogenase From E. Coli, with Zinc in the Catalytic Site.:
1.1.1.251;

Protein crystallography data

The structure of Open State of Galactitol-1-Phosphate 5-Dehydrogenase From E. Coli, with Zinc in the Catalytic Site., PDB code: 4ueo 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) 44.235 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 43.306, 76.906, 108.651, 90.00, 95.51, 90.00
R / Rfree (%) 19.43 / 25.58

Zinc Binding Sites:

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

Zinc binding site 1 out of 5 in 4ueo

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Zinc binding site 1 out of 5 in the Open State of Galactitol-1-Phosphate 5-Dehydrogenase From E. Coli, with Zinc in the Catalytic Site.


Mono view


Stereo pair view

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

b:0.2
occ:1.00
 O A:HOH2026 2.1 49.3 1.0
NE2 A:HIS59 2.3 48.2 1.0
SG A:CYS38 2.6 62.7 1.0
O A:HOH2164 2.7 70.0 1.0
CE1 A:HIS59 3.1 53.4 1.0
CD2 A:HIS59 3.4 46.9 1.0
OG A:SER40 3.5 49.6 1.0
CB A:CYS38 3.6 69.1 1.0
OE2 A:GLU60 3.8 57.1 1.0
OE1 A:GLU144 4.0 48.2 1.0
OE2 A:GLU144 4.1 56.6 1.0
ND1 A:HIS59 4.3 50.8 1.0
CG A:HIS59 4.4 43.7 1.0
CD A:GLU144 4.5 52.1 1.0
CB A:SER40 4.6 63.1 1.0
CD A:GLU60 4.8 48.5 1.0

Zinc binding site 2 out of 5 in 4ueo

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Zinc binding site 2 out of 5 in the Open State of Galactitol-1-Phosphate 5-Dehydrogenase From E. Coli, with Zinc in the Catalytic Site.


Mono view


Stereo pair view

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

b:51.1
occ:1.00
 SG A:CYS92 2.3 42.1 1.0
SG A:CYS103 2.4 38.1 1.0
SG A:CYS89 2.4 36.8 1.0
SG A:CYS95 2.4 39.6 1.0
CB A:CYS95 3.2 44.1 1.0
CB A:CYS103 3.3 40.1 1.0
CB A:CYS92 3.4 43.0 1.0
CB A:CYS89 3.5 41.0 1.0
N A:CYS89 3.5 41.0 1.0
N A:PHE90 3.6 41.7 1.0
N A:CYS92 3.8 43.3 1.0
CA A:CYS89 3.9 45.8 1.0
CA A:CYS103 4.0 41.6 1.0
O A:HOH2050 4.1 49.0 1.0
C A:CYS89 4.1 49.5 1.0
CA A:CYS92 4.2 41.4 1.0
N A:THR91 4.2 44.8 1.0
N A:CYS95 4.3 45.0 1.0
CA A:CYS95 4.3 47.5 1.0
CA A:PHE90 4.5 38.7 1.0
C A:PRO88 4.7 40.7 1.0
O A:CYS92 4.7 39.7 1.0
C A:PHE90 4.8 44.8 1.0
C A:CYS92 4.8 43.6 1.0
CB A:PRO88 4.8 49.1 1.0
C A:THR91 4.9 50.4 1.0
C A:CYS103 4.9 47.2 1.0
N A:ALA104 4.9 48.2 1.0
CE A:LYS105 5.0 79.6 1.0

Zinc binding site 3 out of 5 in 4ueo

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Zinc binding site 3 out of 5 in the Open State of Galactitol-1-Phosphate 5-Dehydrogenase From E. Coli, with Zinc in the Catalytic Site.


Mono view


Stereo pair view

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

b:78.6
occ:1.00
 ND1 B:HIS267 2.3 61.2 1.0
ND1 A:HIS267 2.3 60.8 1.0
O A:HOH2165 2.3 36.4 1.0
CE1 A:HIS267 3.2 62.0 1.0
CG B:HIS267 3.2 54.9 1.0
CE1 B:HIS267 3.2 63.1 1.0
CG A:HIS267 3.3 62.9 1.0
CB B:HIS267 3.5 49.1 1.0
CB A:HIS267 3.7 57.2 1.0
NE2 A:HIS267 4.3 64.6 1.0
NE2 B:HIS267 4.3 61.6 1.0
CD2 B:HIS267 4.3 58.7 1.0
CD2 A:HIS267 4.4 61.7 1.0
CA B:HIS267 4.4 45.6 1.0
CA A:HIS267 4.7 55.6 1.0

Zinc binding site 4 out of 5 in 4ueo

Go back to Zinc Binding Sites List in 4ueo
Zinc binding site 4 out of 5 in the Open State of Galactitol-1-Phosphate 5-Dehydrogenase From E. Coli, with Zinc in the Catalytic Site.


Mono view


Stereo pair view

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

b:1.0
occ:1.00
 O B:HOH2017 2.2 51.1 1.0
O B:HOH2019 2.5 55.8 1.0
NE2 B:HIS59 2.8 61.6 1.0
CB B:SER40 3.3 87.0 1.0
SG B:CYS38 3.3 0.7 1.0
OG B:SER40 3.6 85.8 1.0
CE1 B:HIS59 3.7 64.9 1.0
CD2 B:HIS59 3.8 58.2 1.0
OE2 B:GLU144 3.8 58.1 1.0
OE1 B:GLU144 4.1 61.4 1.0
CD B:GLU144 4.4 60.4 1.0
OE2 B:GLU60 4.4 56.9 1.0
CB B:CYS38 4.6 85.7 1.0
CA B:SER40 4.7 93.3 1.0
ND1 B:HIS59 4.9 60.1 1.0
N B:SER40 4.9 94.3 1.0
CG B:HIS59 4.9 54.3 1.0

Zinc binding site 5 out of 5 in 4ueo

Go back to Zinc Binding Sites List in 4ueo
Zinc binding site 5 out of 5 in the Open State of Galactitol-1-Phosphate 5-Dehydrogenase From E. Coli, with Zinc in the Catalytic Site.


Mono view


Stereo pair view

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

b:51.4
occ:1.00
 SG B:CYS92 2.3 43.2 1.0
SG B:CYS95 2.4 37.5 1.0
SG B:CYS103 2.4 40.6 1.0
SG B:CYS89 2.4 44.9 1.0
CB B:CYS95 3.2 46.3 1.0
CB B:CYS103 3.3 37.5 1.0
CB B:CYS92 3.3 47.5 1.0
N B:CYS89 3.6 42.5 1.0
CB B:CYS89 3.7 45.9 1.0
N B:CYS92 3.8 46.5 1.0
N B:PHE90 3.8 41.6 1.0
O B:HOH2030 3.9 46.1 1.0
CA B:CYS89 4.1 46.1 1.0
CA B:CYS103 4.1 47.2 1.0
CA B:CYS92 4.1 47.9 1.0
N B:CYS95 4.1 42.4 1.0
NZ B:LYS105 4.1 68.7 1.0
CA B:CYS95 4.2 48.5 1.0
C B:CYS89 4.3 47.8 1.0
N B:THR91 4.4 48.2 1.0
CA B:PHE90 4.7 41.2 1.0
CB B:PRO88 4.7 39.4 1.0
C B:PRO88 4.7 41.8 1.0
O B:CYS92 4.8 44.7 1.0
C B:CYS92 4.8 46.2 1.0
CE B:LYS105 4.8 60.2 1.0
C B:PHE90 4.9 45.4 1.0
C B:THR91 5.0 56.1 1.0
C B:CYS103 5.0 51.9 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: Sun Oct 27 09:02:07 2024

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