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Magnesium in PDB 3zx4: The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, in Complex with the Alpha- Mannosylglycerate,Orthophosphate and Magnesium

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

All present enzymatic activity of The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, in Complex with the Alpha- Mannosylglycerate,Orthophosphate and Magnesium:
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,Orthophosphate and Magnesium, PDB code: 3zx4 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) 38.533 / 1.74
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 39.900, 70.740, 92.300, 90.00, 95.36, 90.00
R / Rfree (%) 17.22 / 21.91

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,Orthophosphate and Magnesium (pdb code 3zx4). 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,Orthophosphate and Magnesium, PDB code: 3zx4:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 3zx4

Go back to Magnesium Binding Sites List in 3zx4
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,Orthophosphate and Magnesium


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,Orthophosphate and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg260

b:56.8
occ:1.00
 O3 A:PO4261 1.9 61.1 0.7
OD2 A:ASP6 2.5 73.6 1.0
O A:ASP8 2.6 61.2 1.0
O A:HOH2172 2.6 57.4 0.9
O A:HOH2005 2.6 46.8 1.0
OD1 A:ASP202 2.7 52.8 1.0
P A:PO4261 3.1 47.9 0.7
CG A:ASP6 3.3 64.4 1.0
O2 A:PO4261 3.3 26.6 0.7
OD1 A:ASP6 3.5 58.0 1.0
C A:ASP8 3.5 67.4 1.0
CG A:ASP202 3.7 65.1 1.0
CB A:ASP8 3.8 76.9 1.0
O1 A:PO4261 3.9 36.8 0.7
CA A:ASP8 3.9 69.3 1.0
O A:HOH2068 4.0 66.9 1.0
N A:ASP8 4.0 58.0 1.0
OD2 A:ASP202 4.0 80.0 1.0
O4 A:PO4261 4.3 56.0 0.7
N A:GLY9 4.6 66.4 1.0
O A:GLY165 4.6 69.2 1.0
CB A:ASP6 4.7 46.0 1.0
C A:LEU7 4.7 49.3 1.0
C23 A:2M8262 4.8 40.4 0.6
O13 A:2M8262 4.8 40.7 0.6
N A:LEU7 5.0 40.5 1.0

Magnesium binding site 2 out of 2 in 3zx4

Go back to Magnesium Binding Sites List in 3zx4
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,Orthophosphate and Magnesium


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,Orthophosphate and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg260

b:26.6
occ:1.00
 O2 B:PO4261 2.0 33.0 1.0
OD2 B:ASP6 2.1 29.1 1.0
O B:ASP8 2.1 25.3 1.0
O B:HOH2007 2.2 27.7 1.0
O B:HOH2010 2.2 27.5 1.0
OD1 B:ASP202 2.2 32.9 1.0
CG B:ASP6 3.0 33.7 1.0
CG B:ASP202 3.2 42.6 1.0
C B:ASP8 3.2 27.2 1.0
OD1 B:ASP6 3.3 42.2 1.0
P B:PO4261 3.4 28.9 1.0
OD2 B:ASP202 3.6 42.1 1.0
CB B:ASP8 3.9 34.1 1.0
CA B:ASP8 3.9 29.3 1.0
N B:ASP8 3.9 22.6 1.0
O3 B:PO4261 3.9 28.3 1.0
O4 B:PO4261 4.0 29.3 1.0
OD2 B:ASP206 4.1 32.2 1.0
OG1 B:THR10 4.3 29.7 1.0
O B:GLY165 4.3 49.3 1.0
CB B:ASP6 4.3 28.1 1.0
N B:GLY9 4.3 26.3 1.0
O B:HOH2004 4.4 47.1 0.9
O1 B:PO4261 4.4 30.8 1.0
OG B:SER203 4.4 39.8 1.0
O13 B:2M8262 4.6 43.3 1.0
CB B:ASP202 4.6 35.2 1.0
C B:LEU7 4.6 27.3 1.0
CA B:GLY9 4.6 33.1 1.0
CB B:SER203 4.7 32.2 1.0
N B:ASP202 4.8 29.1 1.0
N B:THR10 4.8 29.9 1.0
OD1 B:ASN205 4.8 34.2 1.0
N B:LEU7 4.8 24.0 1.0
C B:GLY9 4.9 34.9 1.0
N B:SER203 5.0 28.1 1.0

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 Aug 11 05:23:16 2025

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