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Vanadium in PDB 3zx5: The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, Covalently Bound to Vanadate and in Complex with Alpha-Mannosylglycerate and Magnesium

Enzymatic activity of The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, Covalently Bound to Vanadate and in Complex with Alpha-Mannosylglycerate and Magnesium

All present enzymatic activity of The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, Covalently Bound to Vanadate and in Complex with Alpha-Mannosylglycerate and Magnesium:
3.1.3.70;

Protein crystallography data

The structure of The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, Covalently Bound to Vanadate and in Complex with Alpha-Mannosylglycerate and Magnesium, PDB code: 3zx5 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) 28.772 / 1.81
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 39.948, 71.263, 91.217, 90.00, 95.52, 90.00
R / Rfree (%) 16.8 / 21.26

Other elements in 3zx5:

The structure of The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, Covalently Bound to Vanadate and in Complex with Alpha-Mannosylglycerate and Magnesium also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Vanadium Binding Sites:

The binding sites of Vanadium atom in the The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, Covalently Bound to Vanadate and in Complex with Alpha-Mannosylglycerate and Magnesium (pdb code 3zx5). This binding sites where shown within 5.0 Angstroms radius around Vanadium atom.
In total 2 binding sites of Vanadium where determined in the The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, Covalently Bound to Vanadate and in Complex with Alpha-Mannosylglycerate and Magnesium, PDB code: 3zx5:
Jump to Vanadium binding site number: 1; 2;

Vanadium binding site 1 out of 2 in 3zx5

Go back to Vanadium Binding Sites List in 3zx5
Vanadium binding site 1 out of 2 in the The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, Covalently Bound to Vanadate and in Complex with Alpha-Mannosylglycerate and Magnesium


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V binding site number 1 of The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, Covalently Bound to Vanadate and in Complex with Alpha-Mannosylglycerate and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:V261

b:28.6
occ:1.00
 V A:VN4261 0.0 28.6 1.0
O2 A:VN4261 1.9 27.5 1.0
O3 A:VN4261 1.9 27.1 1.0
O1 A:VN4261 1.9 26.8 1.0
OD1 A:ASP6 2.0 26.5 1.0
CG A:ASP6 3.1 32.2 1.0
MG A:MG260 3.5 30.7 1.0
OD2 A:ASP6 3.6 34.9 1.0
OG1 A:THR39 3.6 25.1 1.0
C23 A:2M8262 3.6 32.9 1.0
N A:ASP8 3.8 28.3 1.0
N A:ALA40 3.8 24.6 1.0
O13 A:2M8262 3.8 34.1 1.0
NZ A:LYS177 3.8 26.8 1.0
O A:HOH2005 3.9 27.9 1.0
N A:LEU7 4.0 31.1 1.0
CB A:ASP8 4.0 46.0 1.0
CA A:THR39 4.2 20.3 1.0
OD2 A:ASP8 4.3 53.6 1.0
O A:ASP8 4.3 38.0 1.0
ND2 A:ASN205 4.3 24.8 1.0
CB A:THR39 4.4 24.7 1.0
CB A:ASP6 4.4 26.7 1.0
CA A:ASP8 4.4 36.1 1.0
CB A:ALA40 4.5 23.7 1.0
CG A:ASP8 4.5 48.0 1.0
C A:THR39 4.6 19.2 1.0
C A:LEU7 4.6 35.2 1.0
CA A:LEU7 4.6 31.5 1.0
CA A:ALA40 4.8 23.1 1.0
CA A:ASP6 4.8 30.8 1.0
C A:ASP6 4.8 33.7 1.0
CB A:LEU7 4.8 30.8 1.0
C A:ASP8 4.9 36.8 1.0
O A:HOH2006 4.9 28.2 1.0
O A:VAL38 4.9 23.0 1.0
CE A:LYS177 5.0 21.3 1.0

Vanadium binding site 2 out of 2 in 3zx5

Go back to Vanadium Binding Sites List in 3zx5
Vanadium binding site 2 out of 2 in the The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, Covalently Bound to Vanadate and in Complex with Alpha-Mannosylglycerate and Magnesium


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V binding site number 2 of The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, Covalently Bound to Vanadate and in Complex with Alpha-Mannosylglycerate and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:V261

b:23.5
occ:1.00
 V B:VN4261 0.0 23.5 1.0
O2 B:VN4261 1.9 18.6 1.0
O1 B:VN4261 1.9 21.3 1.0
O3 B:VN4261 1.9 21.4 1.0
OD1 B:ASP6 2.0 20.0 1.0
O13 B:2M8262 2.7 29.6 1.0
CG B:ASP6 3.0 19.1 1.0
OD2 B:ASP6 3.4 20.7 1.0
MG B:MG260 3.5 23.2 1.0
C23 B:2M8262 3.7 24.4 1.0
OG1 B:THR39 3.7 20.1 1.0
N B:ASP8 3.8 22.0 1.0
NZ B:LYS177 3.9 18.5 1.0
O B:HOH2006 3.9 20.2 1.0
N B:ALA40 3.9 17.6 1.0
N B:LEU7 4.0 20.4 1.0
CB B:ASP8 4.1 21.2 1.0
O B:ASP8 4.2 22.3 1.0
ND2 B:ASN205 4.3 18.7 1.0
CA B:THR39 4.3 14.8 1.0
CB B:ASP6 4.4 18.8 1.0
CA B:ASP8 4.4 21.5 1.0
CB B:THR39 4.5 19.4 1.0
OD2 B:ASP8 4.5 42.1 1.0
C B:LEU7 4.5 19.1 1.0
CB B:ALA40 4.5 17.6 1.0
C B:THR39 4.6 17.0 1.0
CA B:LEU7 4.6 19.5 1.0
CG B:ASP8 4.7 35.8 1.0
O B:HOH2010 4.7 22.1 1.0
CA B:ASP6 4.8 18.4 1.0
C B:ASP8 4.8 19.8 1.0
C B:ASP6 4.8 25.8 1.0
CA B:ALA40 4.9 17.7 1.0
CB B:LEU7 4.9 23.8 1.0
O B:VAL38 5.0 21.0 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: Fri Oct 11 19:30:25 2024

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