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Magnesium in PDB 3zup: The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, in Complex with the Alpha- Mannosylglycerate and Orthophosphate Reaction Products.

Enzymatic activity of The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, in Complex with the Alpha- Mannosylglycerate and Orthophosphate Reaction Products.

All present enzymatic activity of The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, in Complex with the Alpha- Mannosylglycerate and Orthophosphate Reaction Products.:
3.1.3.70;

Protein crystallography data

The structure of The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, in Complex with the Alpha- Mannosylglycerate and Orthophosphate Reaction Products., PDB code: 3zup was solved by S.Goncalves, A.M.Esteves, H.Santos, N.Borges, P.M.Matias, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.161 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 39.368, 88.049, 146.457, 90.00, 90.00, 90.00
R / Rfree (%) 18.04 / 22.97

Magnesium Binding Sites:

The binding sites of Magnesium atom in the The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, in Complex with the Alpha- Mannosylglycerate and Orthophosphate Reaction Products. (pdb code 3zup). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, in Complex with the Alpha- Mannosylglycerate and Orthophosphate Reaction Products., PDB code: 3zup:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 3zup

Go back to Magnesium Binding Sites List in 3zup
Magnesium binding site 1 out of 2 in the The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, in Complex with the Alpha- Mannosylglycerate and Orthophosphate Reaction Products.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, in Complex with the Alpha- Mannosylglycerate and Orthophosphate Reaction Products. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1254

b:18.9
occ:1.00
 O A:ASP8 2.2 28.0 1.0
OD2 A:ASP6 2.2 38.6 1.0
O A:HOH2004 2.3 36.3 1.0
OD1 A:ASP202 2.3 30.6 1.0
O A:HOH2007 2.3 32.8 1.0
O A:HOH2006 2.4 34.2 1.0
CG A:ASP6 3.0 29.9 1.0
O3 A:PO41255 3.0 40.2 0.4
OD1 A:ASP6 3.1 32.5 1.0
CG A:ASP202 3.3 35.6 1.0
C A:ASP8 3.4 26.0 1.0
OD2 A:ASP202 3.7 36.1 1.0
O A:GLY165 4.1 28.2 1.0
O A:HOH2005 4.1 32.8 1.0
O A:HOH2185 4.1 35.2 1.0
OD2 A:ASP206 4.2 24.6 1.0
CA A:ASP8 4.2 24.5 1.0
OG A:SER203 4.2 32.1 1.0
N A:ASP8 4.3 25.1 1.0
N A:GLY9 4.3 26.0 1.0
CB A:ASP6 4.4 19.2 1.0
CB A:ASP8 4.4 31.8 1.0
CA A:GLY9 4.4 30.1 1.0
OG1 A:THR10 4.5 26.7 1.0
P A:PO41255 4.5 19.2 0.4
CB A:ASP202 4.6 22.9 1.0
CB A:SER203 4.7 31.5 1.0
C A:GLY9 4.8 35.0 1.0
N A:ASP202 4.8 21.5 1.0
N A:THR10 4.8 22.8 1.0
C A:LEU7 4.9 21.7 1.0
O1 A:PO41255 4.9 38.1 0.4
O13 A:2M81256 5.0 48.5 0.7
N A:SER203 5.0 21.4 1.0

Magnesium binding site 2 out of 2 in 3zup

Go back to Magnesium Binding Sites List in 3zup
Magnesium binding site 2 out of 2 in the The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, in Complex with the Alpha- Mannosylglycerate and Orthophosphate Reaction Products.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, in Complex with the Alpha- Mannosylglycerate and Orthophosphate Reaction Products. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1254

b:25.8
occ:1.00
 OD2 B:ASP6 2.2 36.6 1.0
O B:ASP8 2.3 31.4 1.0
OD1 B:ASP202 2.4 33.5 1.0
O B:HOH2006 2.4 38.9 1.0
O B:HOH2009 2.4 36.0 1.0
O B:HOH2007 2.4 31.2 1.0
O1 B:PO41255 3.0 42.9 0.5
CG B:ASP6 3.1 33.1 1.0
CG B:ASP202 3.3 36.5 1.0
OD1 B:ASP6 3.4 39.4 1.0
C B:ASP8 3.5 29.0 1.0
OD2 B:ASP202 3.6 37.4 1.0
O B:HOH2110 3.6 48.3 0.5
O B:HOH2005 4.1 28.1 1.0
O B:GLY165 4.1 35.3 1.0
OG B:SER203 4.2 32.4 1.0
OD2 B:ASP206 4.3 31.3 1.0
CA B:ASP8 4.3 28.6 1.0
N B:ASP8 4.4 26.5 1.0
P B:PO41255 4.4 28.4 0.5
CB B:ASP6 4.4 25.7 1.0
OG1 B:THR10 4.4 30.0 1.0
N B:GLY9 4.5 34.3 1.0
CB B:ASP8 4.5 35.2 1.0
CA B:GLY9 4.6 37.2 1.0
O13 B:2M81256 4.6 48.1 0.7
CB B:ASP202 4.6 29.4 1.0
CB B:SER203 4.7 32.6 1.0
O3 B:PO41255 4.7 44.3 0.5
C B:GLY9 4.8 36.0 1.0
N B:ASP202 4.9 29.8 1.0
N B:THR10 4.9 26.6 1.0
C B:LEU7 4.9 30.7 1.0
C23 B:2M81256 5.0 45.5 0.7

Reference:

S.Goncalves, A.M.Esteves, H.Santos, N.Borges, P.M.Matias. The Three-Dimensional Structure of Mannosyl-3- Phosphoglycerate Phosphatase From Thermus Thermophilus HB27: A New Member of the Haloalkanoic Acid Dehalogenase Superfamily. Biochemistry V. 50 9551 2011.
ISSN: ISSN 0006-2960
PubMed: 21961705
DOI: 10.1021/BI201171H
Page generated: Mon Dec 14 09:04:30 2020

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