Magnesium in PDB 2bsl: Crystal Structure of L. Lactis Dihydroorotate Dehydrogense A in Complex with 3,4-Dihydroxybenzoate

All present enzymatic activity of Crystal Structure of L. Lactis Dihydroorotate Dehydrogense A in Complex with 3,4-Dihydroxybenzoate:
1.3.99.11;

The structure of Crystal Structure of L. Lactis Dihydroorotate Dehydrogense A in Complex with 3,4-Dihydroxybenzoate, PDB code: 2bsl 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 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.588, 108.160, 66.222, 90.00, 104.06, 90.00
R / Rfree (%)	18.6 / 24.1

The binding sites of Magnesium atom in the Crystal Structure of L. Lactis Dihydroorotate Dehydrogense A in Complex with 3,4-Dihydroxybenzoate (pdb code 2bsl). 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 3,4-Dihydroxybenzoate, PDB code: 2bsl:
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 3,4-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 3,4-Dihydroxybenzoate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1314 b:37.1 occ:1.00 O A:LYS33 2.3 36.2 1.0 O A:SER35 2.4 35.5 1.0 O A:HOH2013 2.6 33.4 1.0 C A:LYS33 3.5 36.7 1.0 C A:SER35 3.6 36.4 1.0 C A:ALA34 3.9 37.0 1.0 O A:ALA34 4.1 37.1 1.0 O A:ALA37 4.1 32.5 1.0 N A:SER35 4.1 37.2 1.0 O A:HOH2008 4.2 26.2 1.0 O A:LEU32 4.2 36.0 1.0 CA A:ALA34 4.4 36.7 1.0 N A:ALA34 4.4 36.2 1.0 CA A:LYS33 4.4 37.1 1.0 CA A:SER35 4.5 37.3 1.0 N A:GLN36 4.5 36.7 1.0 CA A:GLN36 4.5 35.7 1.0 O A:HOH2007 4.6 26.4 1.0 C A:GLN36 4.8 34.5 1.0 N A:ALA37 4.9 33.0 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of L. Lactis Dihydroorotate Dehydrogense A in Complex with 3,4-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 3,4-Dihydroxybenzoate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1314 b:38.6 occ:1.00 O B:LYS33 2.3 36.4 1.0 O B:SER35 2.4 36.0 1.0 O B:HOH2013 2.5 29.5 1.0 O B:HOH2014 2.6 28.9 1.0 C B:LYS33 3.4 36.6 1.0 C B:SER35 3.7 36.6 1.0 O B:ALA37 4.0 33.1 1.0 C B:ALA34 4.1 37.1 1.0 O B:HOH2011 4.1 50.4 1.0 O B:HOH2006 4.1 35.3 1.0 O B:HOH2005 4.2 29.9 1.0 O B:LEU32 4.2 37.0 1.0 O B:ALA34 4.2 37.0 1.0 CA B:LYS33 4.2 37.3 1.0 N B:SER35 4.3 37.1 1.0 O B:HOH2031 4.3 40.7 1.0 N B:ALA34 4.4 36.5 1.0 CA B:ALA34 4.5 36.4 1.0 CA B:SER35 4.6 37.3 1.0 N B:GLN36 4.6 36.5 1.0 CA B:GLN36 4.7 36.1 1.0 C B:GLN36 4.8 34.8 1.0 N B:ALA37 5.0 33.5 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