Magnesium in PDB 6bd3: 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: 6bd3 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)	47.31 / 2.28
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	95.898, 108.766, 180.001, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 20.1

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 6bd3). 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: 6bd3:
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:64.8 occ:1.00 O A:HOH834 2.1 48.2 1.0 O1A A:TPP703 2.1 61.8 1.0 O A:HOH891 2.1 55.9 1.0 O1B A:TPP703 2.1 67.5 1.0 OD1 A:ASP550 2.2 63.2 1.0 OD1 A:ASN577 2.4 68.5 1.0 CG A:ASN577 3.2 70.0 1.0 CG A:ASP550 3.2 52.7 1.0 PA A:TPP703 3.3 63.2 1.0 PB A:TPP703 3.3 58.7 1.0 ND2 A:ASN577 3.4 65.7 1.0 O3A A:TPP703 3.6 0.0 1.0 N A:ASP550 3.7 28.7 1.0 OD2 A:ASP550 3.8 55.9 1.0 O7 A:TPP703 4.0 77.7 1.0 O2B A:TPP703 4.1 60.9 1.0 O A:LEU575 4.3 52.5 1.0 N A:ALA551 4.3 34.6 1.0 CA A:GLY549 4.4 40.4 1.0 CB A:ASP550 4.4 42.3 1.0 N A:ASN577 4.4 61.1 1.0 O B:HOH885 4.4 65.2 1.0 O2A A:TPP703 4.4 63.0 1.0 C A:GLY549 4.5 36.9 1.0 O3B A:TPP703 4.5 56.2 1.0 CA A:ASP550 4.5 43.0 1.0 CB A:ASN577 4.6 64.6 1.0 O A:HOH982 4.6 82.1 1.0 CA A:ASN577 5.0 69.2 1.0 CB A:ALA551 5.0 29.1 1.0 C A:ASP550 5.0 45.2 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:Mg702 b:40.7 occ:1.00 O23 B:HTL703 1.8 30.7 1.0 O12 B:HTL703 2.0 38.0 1.0 OD1 B:ASN577 2.1 44.1 1.0 OD1 B:ASP550 2.1 45.1 1.0 O B:HOH864 2.2 46.0 1.0 O B:HOH808 2.3 35.0 1.0 CG B:ASN577 3.1 54.0 1.0 P2 B:HTL703 3.1 40.5 1.0 CG B:ASP550 3.1 36.6 1.0 P1 B:HTL703 3.2 40.0 1.0 ND2 B:ASN577 3.4 44.5 1.0 OD2 B:ASP550 3.5 38.8 1.0 O11 B:HTL703 3.5 52.9 1.0 O2 B:OXY708 3.8 0.7 1.0 O1 B:OXY708 3.8 99.4 1.0 O21 B:HTL703 3.8 43.2 1.0 O5G B:HTL703 3.8 44.6 1.0 O B:HOH802 3.9 60.6 1.0 N B:ASP550 3.9 26.9 1.0 O22 B:HTL703 4.2 38.8 1.0 O13 B:HTL703 4.2 36.8 1.0 N B:ALA551 4.4 31.1 1.0 CB B:ASP550 4.4 29.0 1.0 N B:ASN577 4.4 48.9 1.0 CB B:ASN577 4.5 48.7 1.0 O B:LEU575 4.5 46.4 1.0 CA B:ASP550 4.6 31.4 1.0 C B:GLY549 4.8 48.1 1.0 CA B:GLY549 4.8 35.9 1.0 C B:ASN577 4.8 51.3 1.0 CA B:ASN577 4.8 50.6 1.0 O B:ASN577 4.9 50.9 1.0 CB B:ALA551 5.0 29.5 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