Magnesium in PDB 4qel: Crystal Structure of Benzoylformate Decarboxylase Mutant H70A

All present enzymatic activity of Crystal Structure of Benzoylformate Decarboxylase Mutant H70A:
4.1.1.7;

The structure of Crystal Structure of Benzoylformate Decarboxylase Mutant H70A, PDB code: 4qel was solved by F.H.Andrews, M.P.Rogers, H.R.Brodkin, M.J.Mcleish, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.29 / 1.43
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	80.978, 95.442, 137.197, 90.00, 90.00, 90.00
R / Rfree (%)	13 / 15.8

The structure of Crystal Structure of Benzoylformate Decarboxylase Mutant H70A also contains other interesting chemical elements:

Calcium	(Ca)	3 atoms
Chlorine	(Cl)	1 atom

The binding sites of Magnesium atom in the Crystal Structure of Benzoylformate Decarboxylase Mutant H70A (pdb code 4qel). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Benzoylformate Decarboxylase Mutant H70A, PDB code: 4qel:

Magnesium binding site 1 out of 1 in the Crystal Structure of Benzoylformate Decarboxylase Mutant H70A


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 Benzoylformate Decarboxylase Mutant H70A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg604 b:10.2 occ:0.50 O A:ARG120 2.5 13.5 0.5 O A:ARG120 2.6 13.1 0.5 O A:LEU118 2.6 13.5 1.0 O A:ASN117 2.8 13.3 1.0 O A:HOH778 3.2 21.0 0.5 C A:LEU118 3.4 13.1 1.0 C A:ARG120 3.7 12.6 0.5 C A:ARG120 3.7 12.9 0.5 N A:ARG120 3.8 12.6 0.5 N A:ARG120 3.8 12.9 0.5 C A:ASN117 3.9 12.8 1.0 CA A:LEU118 3.9 11.9 1.0 CA A:ARG120 4.2 12.7 0.5 CA A:ARG120 4.2 13.3 0.5 N A:PRO119 4.3 12.5 1.0 C A:PRO119 4.4 12.9 1.0 N A:LEU118 4.4 11.2 1.0 CB A:ARG120 4.5 12.6 0.5 CE A:MET79 4.5 14.0 0.5 CB A:ARG120 4.6 14.0 0.5 CA A:PRO119 4.7 12.3 1.0 N A:PRO121 4.8 12.5 1.0

F.H.Andrews, M.P.Rogers, H.R.Brodkin, M.J.Mcleish. Structural Investigation of Benzoylformate Decarboxylase Active Site Variants To Be Published.