Magnesium in PDB 2bx7: Crystal Structure of L. Lactis Dihydroorotate Dehydrogense A in Complex with 3,5-Dihydroxybenzoate

All present enzymatic activity of Crystal Structure of L. Lactis Dihydroorotate Dehydrogense A in Complex with 3,5-Dihydroxybenzoate:
1.3.3.1;

The structure of Crystal Structure of L. Lactis Dihydroorotate Dehydrogense A in Complex with 3,5-Dihydroxybenzoate, PDB code: 2bx7 was solved by A.E.Wolfe, M.Hansen, S.G.Gattis, Y.-C.Hu, E.Johansson, S.Arent, S.Larsen, B.A.Palfey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.04
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.710, 108.127, 66.216, 90.00, 104.06, 90.00
R / Rfree (%)	18.4 / 22.9

The binding sites of Magnesium atom in the Crystal Structure of L. Lactis Dihydroorotate Dehydrogense A in Complex with 3,5-Dihydroxybenzoate (pdb code 2bx7). 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 L. Lactis Dihydroorotate Dehydrogense A in Complex with 3,5-Dihydroxybenzoate, PDB code: 2bx7:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of L. Lactis Dihydroorotate Dehydrogense A in Complex with 3,5-Dihydroxybenzoate


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 L. Lactis Dihydroorotate Dehydrogense A in Complex with 3,5-Dihydroxybenzoate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1314 b:30.5 occ:1.00 O A:SER35 2.3 29.2 1.0 O A:LYS33 2.4 28.9 1.0 O A:HOH2024 2.5 32.7 1.0 O A:HOH2021 2.6 30.2 1.0 C A:LYS33 3.5 29.3 1.0 C A:SER35 3.5 29.6 1.0 O A:ALA37 4.0 28.6 1.0 C A:ALA34 4.0 29.4 1.0 N A:SER35 4.1 29.7 1.0 O A:LEU32 4.1 28.5 1.0 O A:ALA34 4.1 29.4 1.0 O A:HOH2010 4.1 27.1 1.0 N A:ALA34 4.4 29.7 1.0 CA A:LYS33 4.4 29.2 1.0 CA A:ALA34 4.4 29.6 1.0 CA A:SER35 4.4 29.0 1.0 N A:GLN36 4.4 29.6 1.0 CA A:GLN36 4.5 29.5 1.0 O A:HOH2011 4.7 29.9 1.0 C A:GLN36 4.7 28.2 1.0 N A:ALA37 4.8 27.4 1.0 OG A:SER35 5.0 27.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of L. Lactis Dihydroorotate Dehydrogense A in Complex with 3,5-Dihydroxybenzoate


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 L. Lactis Dihydroorotate Dehydrogense A in Complex with 3,5-Dihydroxybenzoate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1314 b:35.8 occ:1.00 O B:LYS33 2.4 28.8 1.0 O B:SER35 2.4 29.5 1.0 O B:HOH2022 2.5 31.9 1.0 O B:HOH2023 2.6 26.7 1.0 C B:LYS33 3.5 29.3 1.0 C B:SER35 3.6 29.9 1.0 O B:ALA37 4.0 28.7 1.0 C B:ALA34 4.0 30.3 1.0 N B:SER35 4.1 29.9 1.0 O B:HOH2011 4.2 31.0 1.0 O B:ALA34 4.2 30.5 1.0 O B:LEU32 4.2 29.0 1.0 N B:ALA34 4.3 29.8 1.0 CA B:LYS33 4.4 29.5 1.0 CA B:ALA34 4.4 29.9 1.0 CA B:SER35 4.5 29.0 1.0 N B:GLN36 4.5 30.0 1.0 O B:HOH2012 4.6 31.5 1.0 CA B:GLN36 4.6 29.7 1.0 O B:HOH2053 4.6 37.9 1.0 C B:GLN36 4.8 28.6 1.0 N B:ALA37 4.9 27.9 1.0

A.E.Wolfe, M.Thymark, S.G.Gattis, R.L.Fagan, Y.-C.Hu, E.Johansson, S.Arent, S.Larsen, B.A.Palfey. Interaction of Benzoate Pyrimidine Analogues with Class 1A Dihydroorotate Dehydrogenase From Lactococcus Lactis. Biochemistry V. 46 5741 2007.
ISSN: ISSN 0006-2960
PubMed: 17444658
DOI: 10.1021/BI7001554