Magnesium in PDB 6v76: Crystal Structure of Human PKM2 in Complex with L-Valine

All present enzymatic activity of Crystal Structure of Human PKM2 in Complex with L-Valine:
2.7.1.40;

The structure of Crystal Structure of Human PKM2 in Complex with L-Valine, PDB code: 6v76 was solved by S.Nandi, M.Dey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	61.44 / 2.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	81.040, 154.980, 91.960, 90.00, 102.36, 90.00
R / Rfree (%)	22.3 / 26.5

The structure of Crystal Structure of Human PKM2 in Complex with L-Valine also contains other interesting chemical elements:

Potassium	(K)	1 atom
Chlorine	(Cl)	2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Human PKM2 in Complex with L-Valine (pdb code 6v76). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Human PKM2 in Complex with L-Valine, PDB code: 6v76:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Human PKM2 in Complex with L-Valine


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 Human PKM2 in Complex with L-Valine within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg603 b:39.0 occ:1.00 OD2 C:ASP296 2.2 46.0 1.0 OE1 C:GLU272 2.2 37.7 1.0 O2 C:OXL610 2.3 48.5 1.0 O1 C:OXL610 2.6 39.1 1.0 C2 C:OXL610 3.2 47.6 1.0 C1 C:OXL610 3.3 38.6 1.0 CG C:ASP296 3.3 40.1 1.0 CD C:GLU272 3.3 41.0 1.0 OE2 C:GLU272 3.8 43.4 1.0 NZ C:LYS270 3.9 35.6 1.0 CB C:ASP296 3.9 47.8 1.0 CE2 C:PHE244 4.2 51.1 1.0 OD1 C:ASP296 4.3 41.3 1.0 O4 C:OXL610 4.4 52.7 1.0 O3 C:OXL610 4.5 36.9 1.0 CG C:GLU272 4.6 37.8 1.0 CE C:LYS270 4.6 35.8 1.0 CZ C:PHE244 4.8 47.0 1.0 OE2 C:GLU118 4.8 62.4 1.0 CD2 C:PHE244 4.8 44.9 1.0 N C:ASP296 4.9 37.8 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Human PKM2 in Complex with L-Valine


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 Human PKM2 in Complex with L-Valine within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg601 b:60.7 occ:1.00 OD2 B:ASP296 2.2 54.0 1.0 OE2 B:GLU272 2.3 62.0 1.0 O4 B:OXL605 2.5 53.8 1.0 O3 B:OXL605 2.5 67.0 1.0 C2 B:OXL605 3.2 52.3 1.0 C1 B:OXL605 3.2 62.0 1.0 CG B:ASP296 3.4 59.4 1.0 CD B:GLU272 3.5 55.7 1.0 NZ B:LYS270 4.0 51.7 1.0 OE1 B:GLU272 4.1 59.5 1.0 CB B:ASP296 4.2 55.2 1.0 CE2 B:PHE244 4.3 57.8 1.0 OD1 B:ASP296 4.4 68.8 1.0 O2 B:OXL605 4.4 52.6 1.0 O1 B:OXL605 4.4 59.5 1.0 CG B:GLU272 4.5 45.3 1.0 CE B:LYS270 4.6 58.2 1.0 CD2 B:PHE244 4.7 58.8 1.0 O B:HOH706 4.9 54.1 1.0

S.Nandi, M.Dey. Biochemical and Structural Investigation of Pyurvate Kinase Muscle Isoform 2 Regulation By Amino Acids To Be Published.