Magnesium in PDB 5ims: 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: 5ims 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)	42.18 / 1.98
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	95.683, 110.180, 180.005, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 19.3

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 5ims). 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: 5ims:
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:Mg703 b:35.7 occ:1.00 O A:HOH902 2.0 35.3 1.0 O2A A:TPP704 2.0 33.9 1.0 O2B A:TPP704 2.1 31.9 1.0 O A:HOH1130 2.2 40.8 1.0 OD1 A:ASP550 2.2 34.5 1.0 OD1 A:ASN577 2.3 40.6 1.0 PA A:TPP704 3.2 36.3 1.0 CG A:ASN577 3.2 44.2 1.0 PB A:TPP704 3.2 35.9 1.0 CG A:ASP550 3.3 38.5 1.0 ND2 A:ASN577 3.4 46.5 1.0 O3A A:TPP704 3.5 56.2 1.0 OD2 A:ASP550 3.8 40.9 1.0 N A:ASP550 3.9 25.8 1.0 O7 A:TPP704 3.9 38.4 1.0 O3B A:TPP704 3.9 30.4 1.0 O B:HOH997 4.0 48.9 1.0 O A:HOH1174 4.1 56.8 1.0 O A:HOH1040 4.2 63.5 1.0 N A:ALA551 4.3 22.4 1.0 O1A A:TPP704 4.3 27.0 1.0 O1B A:TPP704 4.4 31.7 1.0 O A:LEU575 4.4 32.0 1.0 N A:ASN577 4.5 34.0 1.0 CB A:ASP550 4.5 31.4 1.0 CA A:GLY549 4.6 26.9 1.0 C A:GLY549 4.6 27.9 1.0 CB A:ASN577 4.6 33.4 1.0 CA A:ASP550 4.6 26.8 1.0 CA A:ASN577 5.0 37.5 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:26.0 occ:1.00 O2B B:TPP704 1.9 21.6 1.0 OD2 B:ASP550 2.0 28.9 1.0 O2A B:TPP704 2.1 22.5 1.0 OD1 B:ASN577 2.1 28.2 1.0 O B:HOH834 2.2 27.2 1.0 O B:HOH913 2.2 26.6 1.0 CG B:ASN577 3.1 34.2 1.0 PB B:TPP704 3.1 23.6 1.0 CG B:ASP550 3.2 24.5 1.0 PA B:TPP704 3.2 24.5 1.0 O3A B:TPP704 3.5 24.8 1.0 ND2 B:ASN577 3.5 31.3 1.0 O1 B:OXY708 3.6 61.6 1.0 O B:HOH801 3.6 60.0 1.0 OD1 B:ASP550 3.7 32.1 1.0 O3B B:TPP704 3.9 23.9 1.0 N B:ASP550 3.9 21.6 1.0 O7 B:TPP704 4.0 26.3 1.0 O2 B:OXY708 4.2 60.0 1.0 O B:HOH803 4.2 48.5 1.0 O B:LEU575 4.3 33.9 1.0 N B:ALA551 4.3 20.1 1.0 O1B B:TPP704 4.3 22.5 1.0 N B:ASN577 4.4 35.3 1.0 O1A B:TPP704 4.4 20.5 1.0 CB B:ASP550 4.4 26.2 1.0 CB B:ASN577 4.5 26.6 1.0 CA B:GLY549 4.6 21.0 1.0 CA B:ASP550 4.7 22.5 1.0 C B:GLY549 4.7 24.9 1.0 C B:ASN577 4.8 33.6 1.0 CA B:ASN577 4.8 29.6 1.0 O B:ASN577 5.0 38.4 1.0

L.W.Guddat, T.Lonhienne. A Hidden Redox Cycle Controls Catalysis in Acetohydroxyacid Synthase To Be Published.