Magnesium in PDB 5hwe: High Resolution Structure of Barbiturase

All present enzymatic activity of High Resolution Structure of Barbiturase:
3.5.2.1;

The structure of High Resolution Structure of Barbiturase, PDB code: 5hwe was solved by T.S.Peat, C.Scott, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.50 / 1.71
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	70.341, 82.563, 114.300, 90.00, 90.00, 90.00
R / Rfree (%)	15.1 / 19.4

The binding sites of Magnesium atom in the High Resolution Structure of Barbiturase (pdb code 5hwe). 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 High Resolution Structure of Barbiturase, PDB code: 5hwe:

Magnesium binding site 1 out of 1 in the High Resolution Structure of Barbiturase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of High Resolution Structure of Barbiturase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:26.3 occ:1.00 O A:GLY358 2.7 11.5 1.0 O A:GLN353 2.7 13.3 1.0 OE2 A:GLU301 2.8 12.1 1.0 O A:PRO355 2.9 13.4 1.0 O A:ALA350 3.0 13.3 1.0 O A:GLY354 3.1 12.9 1.0 CD A:GLU301 3.2 12.8 1.0 C A:GLY358 3.6 11.2 1.0 C A:GLY354 3.6 13.5 1.0 OE1 A:GLU301 3.6 14.1 1.0 C A:GLN353 3.6 13.1 1.0 C A:PRO355 3.7 13.8 1.0 CB A:ALA350 3.7 13.4 1.0 O A:HOH523 3.7 25.4 1.0 CG A:GLU301 4.0 17.4 1.0 C A:ALA350 4.0 13.8 1.0 O A:HOH644 4.0 15.6 1.0 N A:GLY358 4.2 11.8 1.0 CA A:GLY354 4.2 14.8 1.0 CA A:GLU356 4.2 13.5 1.0 N A:GLU356 4.3 13.7 1.0 N A:GLY357 4.3 11.5 1.0 N A:PRO355 4.3 15.9 1.0 N A:GLY359 4.3 10.9 1.0 N A:GLN353 4.3 11.2 1.0 N A:GLY354 4.3 13.4 1.0 CA A:GLY359 4.4 10.5 1.0 CA A:GLY358 4.5 11.7 1.0 CA A:ALA350 4.5 12.8 1.0 CA A:GLN353 4.5 12.0 1.0 CA A:PRO355 4.5 15.8 1.0 C A:GLU356 4.6 12.4 1.0 CB A:GLU301 4.8 16.5 1.0 CB A:GLN353 4.9 12.6 1.0 N A:HIS352 5.0 12.0 1.0 N A:ALA351 5.0 14.9 1.0

T.S.Peat, S.Balotra, M.Wilding, C.J.Hartley, J.Newman, C.Scott. High-Resolution X-Ray Structures of Two Functionally Distinct Members of the Cyclic Amide Hydrolase Family of Toblerone Fold Enzymes. Appl. Environ. Microbiol. V. 83 2017.
ISSN: ESSN 1098-5336
PubMed: 28235873
DOI: 10.1128/AEM.03365-16