Magnesium in PDB 3fw7: Structure of Berberine Bridge Enzyme, H104A Variant

All present enzymatic activity of Structure of Berberine Bridge Enzyme, H104A Variant:
1.21.3.3;

The structure of Structure of Berberine Bridge Enzyme, H104A Variant, PDB code: 3fw7 was solved by A.Winkler, P.Macheroux, K.Gruber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.70 / 1.82
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	68.800, 68.800, 247.280, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 19.4

The binding sites of Magnesium atom in the Structure of Berberine Bridge Enzyme, H104A Variant (pdb code 3fw7). 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 Structure of Berberine Bridge Enzyme, H104A Variant, PDB code: 3fw7:

Magnesium binding site 1 out of 1 in the Structure of Berberine Bridge Enzyme, H104A Variant


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Berberine Bridge Enzyme, H104A Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg523 b:69.2 occ:1.00 O A:HOH524 1.8 47.6 1.0 O A:HOH525 2.0 61.4 1.0 OD1 A:ASP47 2.1 80.5 1.0 O A:HOH5 2.2 49.7 1.0 OD1 A:ASP45 2.3 57.5 1.0 O A:HOH4 2.5 58.1 1.0 CG A:ASP47 3.1 78.2 1.0 CG A:ASP45 3.2 54.5 1.0 OD2 A:ASP45 3.4 47.5 1.0 OD2 A:ASP47 3.4 83.9 1.0 CB A:ASP47 4.4 69.5 1.0 N A:ASP47 4.4 58.8 1.0 O A:HOH932 4.5 51.2 1.0 CB A:ASP45 4.6 59.4 1.0 OG A:SER46 4.7 89.1 1.0 CA A:ASP47 4.8 60.0 1.0 C A:ASP47 5.0 49.0 1.0 N A:SER46 5.0 77.1 1.0

A.Winkler, K.Motz, S.Riedl, M.Puhl, P.Macheroux, K.Gruber. Structural Roles of Biocovalent Flaninylation in Berberine Bridge Enzyme To Be Published.