Magnesium in PDB 6su2: Trypanosoma Congolense Pyruvate Kinase in Complex with Citrate and Glycerol

All present enzymatic activity of Trypanosoma Congolense Pyruvate Kinase in Complex with Citrate and Glycerol:
2.7.1.40;

The structure of Trypanosoma Congolense Pyruvate Kinase in Complex with Citrate and Glycerol, PDB code: 6su2 was solved by Y.G.-J.Sterckx, J.E.Pinto Torres, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.74 / 3.00
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	112.770, 182.460, 244.850, 90.00, 90.00, 90.00
R / Rfree (%)	25 / 28.4

The binding sites of Magnesium atom in the Trypanosoma Congolense Pyruvate Kinase in Complex with Citrate and Glycerol (pdb code 6su2). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Trypanosoma Congolense Pyruvate Kinase in Complex with Citrate and Glycerol, PDB code: 6su2:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Trypanosoma Congolense Pyruvate Kinase in Complex with Citrate and Glycerol


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Trypanosoma Congolense Pyruvate Kinase in Complex with Citrate and Glycerol within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg602 b:80.2 occ:1.00 OE1 A:GLU241 2.2 0.0 1.0 OD2 A:ASP265 2.8 0.8 1.0 CD A:GLU241 3.2 96.5 1.0 CG A:ASP265 3.4 0.7 1.0 OE2 A:GLU241 3.5 82.0 1.0 OD1 A:ASP265 3.9 0.9 1.0 CB A:ASP265 4.4 87.0 1.0 CG A:GLU241 4.5 85.8 1.0 OG A:SER212 4.7 98.1 1.0 CB A:SER212 4.8 84.8 1.0 O A:LYS86 4.8 99.0 1.0 NZ A:LYS239 4.8 0.9 1.0 CB A:PHE213 5.0 83.2 1.0

Magnesium binding site 2 out of 4 in the Trypanosoma Congolense Pyruvate Kinase in Complex with Citrate and Glycerol


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Trypanosoma Congolense Pyruvate Kinase in Complex with Citrate and Glycerol within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg602 b:66.7 occ:1.00 OD2 B:ASP265 2.8 0.9 1.0 OE2 B:GLU241 2.8 94.8 1.0 CD B:GLU241 3.8 0.9 1.0 CG B:ASP265 3.9 0.2 1.0 OE1 B:GLU241 4.0 72.6 1.0 O B:LYS86 4.2 0.7 1.0 OD1 B:ASP265 4.5 0.3 1.0 CB B:PHE213 4.5 0.7 1.0 CB B:SER212 4.6 0.1 1.0 OG B:SER212 4.7 0.9 1.0 CG B:PHE213 5.0 0.3 1.0 CB B:ASP265 5.0 99.5 1.0

Magnesium binding site 3 out of 4 in the Trypanosoma Congolense Pyruvate Kinase in Complex with Citrate and Glycerol


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Trypanosoma Congolense Pyruvate Kinase in Complex with Citrate and Glycerol within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg602 b:0.8 occ:1.00 OD2 C:ASP265 2.2 0.8 1.0 OE1 C:GLU241 2.4 74.1 1.0 CG C:ASP265 3.2 94.0 1.0 CD C:GLU241 3.5 90.9 1.0 OD1 C:ASP265 3.9 94.5 1.0 OE2 C:GLU241 3.9 76.1 1.0 CB C:ASP265 4.1 81.8 1.0 NZ C:LYS239 4.1 99.7 1.0 OG C:SER212 4.5 0.7 1.0 CD2 C:PHE213 4.7 0.2 1.0 CG C:GLU241 4.8 86.0 1.0 CB C:SER212 4.9 95.2 1.0

Magnesium binding site 4 out of 4 in the Trypanosoma Congolense Pyruvate Kinase in Complex with Citrate and Glycerol


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Trypanosoma Congolense Pyruvate Kinase in Complex with Citrate and Glycerol within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg602 b:89.2 occ:1.00 OE1 D:GLU241 2.3 0.1 1.0 OD2 D:ASP265 2.7 0.3 1.0 CG D:ASP265 3.0 0.8 1.0 OD1 D:ASP265 3.2 0.4 1.0 CD D:GLU241 3.4 1.0 1.0 OE2 D:GLU241 3.9 0.4 1.0 CB D:ASP265 3.9 87.9 1.0 CG D:GLU241 4.6 94.8 1.0

J.E.Pinto Torres, M.Yuan, J.Goossens, W.Versees, G.Caljon, P.A.Michels, M.D.Walkinshaw, S.Magez, Y.G.Sterckx. Structural and Kinetic Characterisation of Trypanosoma Congolense Pyruvate Kinase. Mol.Biochem.Parasitol. 11263 2020.
ISSN: ISSN 0166-6851
PubMed: 32084384
DOI: 10.1016/J.MOLBIOPARA.2020.111263