Magnesium in PDB 7z4q: Plasmodium Falciparum Pyruvate Kinase Mutant - C49A

All present enzymatic activity of Plasmodium Falciparum Pyruvate Kinase Mutant - C49A:
2.7.1.40;

The structure of Plasmodium Falciparum Pyruvate Kinase Mutant - C49A, PDB code: 7z4q was solved by M.Dillenberger, S.Rahlfs, K.Becker, K.Fritz-Wolf, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.20 / 2.10
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.66, 109.81, 133.35, 90, 90, 90
R / Rfree (%)	25.1 / 27.8

The binding sites of Magnesium atom in the Plasmodium Falciparum Pyruvate Kinase Mutant - C49A (pdb code 7z4q). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Plasmodium Falciparum Pyruvate Kinase Mutant - C49A, PDB code: 7z4q:

Magnesium binding site 1 out of 1 in the Plasmodium Falciparum Pyruvate Kinase Mutant - C49A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Plasmodium Falciparum Pyruvate Kinase Mutant - C49A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg600 b:70.5 occ:1.00 OE1 A:GLU257 2.8 65.4 1.0 OD2 A:ASP281 3.1 74.5 1.0 OE2 A:GLU257 3.3 66.1 1.0 CD A:GLU257 3.4 64.8 1.0 CB A:SER228 3.6 65.7 1.0 CD2 A:PHE229 3.9 63.1 1.0 OG A:SER228 4.0 66.1 1.0 CG A:ASP281 4.0 76.2 1.0 O A:LYS104 4.2 77.8 1.0 CB A:PHE229 4.3 64.2 1.0 N A:PHE229 4.3 63.0 1.0 O A:PRO106 4.4 78.3 1.0 OD1 A:ASP281 4.5 80.5 1.0 CA A:SER228 4.5 62.6 1.0 CG A:PHE229 4.6 63.3 1.0 C A:SER228 4.6 61.2 1.0 CG A:GLU257 4.7 64.1 1.0 CA A:PHE229 4.9 62.0 1.0 CE2 A:PHE229 4.9 64.4 1.0 NZ A:LYS255 4.9 67.4 1.0

M.Dillenberger, S.Rahlfs, K.Becker, K.Fritz-Wolf. Prominent Role of Cysteine Residues C49 and C343 in Regulating Plasmodium Falciparum Pyruvate Kinase Activity. Structure V. 30 1452 2022.
ISSN: ISSN 0969-2126
PubMed: 35998635
DOI: 10.1016/J.STR.2022.08.001