Magnesium in PDB 6bd9: Saccharomyces Cerevisiae Acetohydroxyacid Synthase

All present enzymatic activity of Saccharomyces Cerevisiae Acetohydroxyacid Synthase:
2.2.1.6;

The structure of Saccharomyces Cerevisiae Acetohydroxyacid Synthase, PDB code: 6bd9 was solved by L.W.Guddat, T.Lonhienne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.93 / 1.98
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	96.024, 110.967, 180.244, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 18.1

The structure of Saccharomyces Cerevisiae Acetohydroxyacid Synthase also contains other interesting chemical elements:

Potassium

(K)

2 atoms

The binding sites of Magnesium atom in the Saccharomyces Cerevisiae Acetohydroxyacid Synthase (pdb code 6bd9). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Saccharomyces Cerevisiae Acetohydroxyacid Synthase, PDB code: 6bd9:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Saccharomyces Cerevisiae Acetohydroxyacid Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Saccharomyces Cerevisiae Acetohydroxyacid Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg702 b:29.4 occ:1.00 O A:HOH1013 2.0 30.6 1.0 O1B A:TPP704 2.1 27.8 1.0 O1A A:TPP704 2.1 29.9 1.0 O A:HOH864 2.1 28.8 1.0 OD1 A:ASN577 2.2 39.0 1.0 OD1 A:ASP550 2.2 31.1 1.0 CG A:ASN577 3.1 38.1 1.0 PA A:TPP704 3.2 28.6 1.0 PB A:TPP704 3.2 29.9 1.0 CG A:ASP550 3.3 28.8 1.0 ND2 A:ASN577 3.4 39.4 1.0 O3A A:TPP704 3.5 30.3 1.0 OD2 A:ASP550 3.7 32.7 1.0 O7 A:TPP704 3.9 29.2 1.0 N A:ASP550 4.0 20.6 1.0 O2B A:TPP704 4.0 26.8 1.0 O A:HOH1045 4.0 50.0 1.0 N A:ASN577 4.4 33.4 1.0 N A:ALA551 4.4 23.0 1.0 O3B A:TPP704 4.4 26.8 1.0 O A:LEU575 4.4 31.8 1.0 O2A A:TPP704 4.4 25.2 1.0 CB A:ASN577 4.5 29.7 1.0 CB A:ASP550 4.5 26.1 1.0 CA A:ASP550 4.7 22.6 1.0 C A:GLY549 4.7 22.3 1.0 CA A:GLY549 4.7 22.6 1.0 CA A:ASN577 4.8 36.9 1.0

Magnesium binding site 2 out of 2 in the Saccharomyces Cerevisiae Acetohydroxyacid Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Saccharomyces Cerevisiae Acetohydroxyacid Synthase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg703 b:27.4 occ:1.00 O2B B:TPP704 2.0 23.1 1.0 O1A B:TPP704 2.1 23.8 1.0 OD1 B:ASP550 2.1 33.0 1.0 OD1 B:ASN577 2.1 30.8 1.0 O B:HOH981 2.2 28.0 1.0 O B:HOH877 2.2 24.2 1.0 CG B:ASN577 3.2 34.0 1.0 PB B:TPP704 3.2 25.0 1.0 CG B:ASP550 3.2 27.7 1.0 PA B:TPP704 3.2 26.3 1.0 O3A B:TPP704 3.5 26.1 1.0 ND2 B:ASN577 3.5 32.5 1.0 OD2 B:ASP550 3.6 30.4 1.0 O B:HOH964 3.8 30.0 1.0 N B:ASP550 3.9 24.0 1.0 O1B B:TPP704 3.9 24.6 1.0 O7 B:TPP704 3.9 23.3 1.0 O B:HOH805 4.1 48.1 1.0 N B:ALA551 4.3 19.8 1.0 O2A B:TPP704 4.3 21.5 1.0 O B:LEU575 4.4 35.0 1.0 N B:ASN577 4.4 28.6 1.0 O3B B:TPP704 4.4 23.1 1.0 CB B:ASP550 4.4 22.8 1.0 CB B:ASN577 4.6 25.5 1.0 CA B:GLY549 4.6 21.7 1.0 CA B:ASP550 4.6 22.8 1.0 C B:GLY549 4.7 23.4 1.0 C B:ASN577 4.8 35.4 1.0 CA B:ASN577 4.8 30.6 1.0 C B:ASP550 5.0 22.2 1.0 O B:ASN577 5.0 39.3 1.0

T.Lonhienne, M.D.Garcia, C.Noble, J.Harmer, J.A.Fraser, C.M.Williams, L.W.Guddat. High Resolution Crystal Structures of the Acetohydroxyacid Synthase-Pyruvate Complex Provide New Insights Into Its Catalytic Mechanism Chemistryselect 2017.
ISSN: ESSN 2365-6549
DOI: 10.1002/SLCT.201702128