Magnesium in PDB 4qg9: Crystal Structure of PKM2 Mutant 3

All present enzymatic activity of Crystal Structure of PKM2 Mutant 3:
2.7.1.40;

The structure of Crystal Structure of PKM2 Mutant 3, PDB code: 4qg9 was solved by P.Wang, C.Sun, T.Zhu, Y.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.65 / 2.38
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	95.632, 71.180, 170.289, 90.00, 104.25, 90.00
R / Rfree (%)	21 / 25.6

The binding sites of Magnesium atom in the Crystal Structure of PKM2 Mutant 3 (pdb code 4qg9). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of PKM2 Mutant 3, PDB code: 4qg9:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of PKM2 Mutant 3


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of PKM2 Mutant 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1001 b:50.9 occ:1.00 O A:HOH1181 2.4 38.1 1.0 OD1 A:ASP296 2.7 51.4 1.0 OE1 A:GLU272 2.8 51.3 1.0 CG A:ASP296 3.6 43.7 1.0 CD A:GLU272 3.9 35.7 1.0 OD2 A:ASP296 4.0 55.2 1.0 OE2 A:GLU272 4.2 26.2 1.0 CB A:ASP296 4.8 25.3 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of PKM2 Mutant 3


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of PKM2 Mutant 3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1001 b:32.2 occ:1.00 OE2 B:GLU118 2.3 36.7 1.0 O B:HOH1108 2.4 26.5 1.0 OE1 B:GLU272 2.4 43.0 1.0 CD B:GLU118 3.1 37.5 1.0 OE1 B:GLU118 3.2 40.3 1.0 CD B:GLU272 3.5 28.6 1.0 OD1 B:ASP178 3.7 58.0 1.0 OD1 B:ASP296 3.7 42.3 1.0 OE2 B:GLU272 3.8 33.6 1.0 CG B:ASP296 4.3 37.1 1.0 O B:HOH1162 4.4 25.9 1.0 CG B:ASP178 4.5 44.7 1.0 CG B:GLU118 4.5 35.0 1.0 O B:HOH1190 4.6 26.7 1.0 OD1 B:ASN210 4.7 33.1 1.0 OD2 B:ASP296 4.7 37.4 1.0 OD2 B:ASP178 4.8 49.8 1.0 CG B:GLU272 4.8 21.7 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of PKM2 Mutant 3


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of PKM2 Mutant 3 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1001 b:60.7 occ:1.00 OE1 C:GLU272 3.1 56.4 1.0 OD1 C:ASP296 3.2 40.8 1.0 CG C:ASP296 4.0 38.5 1.0 CD C:GLU272 4.1 35.5 1.0 OD2 C:ASP296 4.4 34.8 1.0 OE2 C:GLU272 4.5 38.1 1.0

P.Wang, C.Sun, T.Zhu, Y.Xu. Structural Insight Into Mechanisms For Dynamic Regulation of PKM2 Protein Cell 2015.
ISSN: ESSN 1674-8018
PubMed: 25645022
DOI: 10.1007/S13238-015-0132-X