Magnesium in PDB 6cwo: X-Ray Crystal Structure of Flavobacterium Johnsoniae Dimanganese(II) Ribonucleotide Reductase Beta Subunit (Aerobic)

The structure of X-Ray Crystal Structure of Flavobacterium Johnsoniae Dimanganese(II) Ribonucleotide Reductase Beta Subunit (Aerobic), PDB code: 6cwo was solved by A.O.Maggiolo, H.R.Rose, A.K.Boal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	73.95 / 1.87
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	53.690, 53.690, 221.845, 90.00, 90.00, 120.00
R / Rfree (%)	20.7 / 23.3

The structure of X-Ray Crystal Structure of Flavobacterium Johnsoniae Dimanganese(II) Ribonucleotide Reductase Beta Subunit (Aerobic) also contains other interesting chemical elements:

Manganese

(Mn)

4 atoms

The binding sites of Magnesium atom in the X-Ray Crystal Structure of Flavobacterium Johnsoniae Dimanganese(II) Ribonucleotide Reductase Beta Subunit (Aerobic) (pdb code 6cwo). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the X-Ray Crystal Structure of Flavobacterium Johnsoniae Dimanganese(II) Ribonucleotide Reductase Beta Subunit (Aerobic), PDB code: 6cwo:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the X-Ray Crystal Structure of Flavobacterium Johnsoniae Dimanganese(II) Ribonucleotide Reductase Beta Subunit (Aerobic)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of X-Ray Crystal Structure of Flavobacterium Johnsoniae Dimanganese(II) Ribonucleotide Reductase Beta Subunit (Aerobic) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:23.1 occ:1.00 O A:HOH539 1.9 23.1 1.0 O A:HOH534 2.1 23.6 1.0 O A:HOH554 2.2 25.9 1.0 O A:HOH525 4.1 15.2 1.0 O A:ASP215 4.3 28.0 1.0 OE1 A:GLU219 4.5 16.3 1.0 OD1 A:ASP215 4.5 32.7 1.0 CA A:ASP215 4.6 28.7 1.0 CB A:ASP218 4.7 23.0 1.0 CA A:ASP218 4.7 22.2 1.0 O A:PHE217 4.7 24.1 1.0 C A:ASP215 4.9 29.2 1.0

Magnesium binding site 2 out of 2 in the X-Ray Crystal Structure of Flavobacterium Johnsoniae Dimanganese(II) Ribonucleotide Reductase Beta Subunit (Aerobic)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of X-Ray Crystal Structure of Flavobacterium Johnsoniae Dimanganese(II) Ribonucleotide Reductase Beta Subunit (Aerobic) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg404 b:40.3 occ:1.00 OD1 A:ASN76 2.1 25.7 1.0 OD1 B:ASN76 2.3 32.1 1.0 CG A:ASN76 3.2 22.2 1.0 CG B:ASN76 3.5 30.0 1.0 ND2 A:ASN76 3.7 24.0 1.0 O B:GLY75 4.0 20.4 1.0 OE2 B:GLU79 4.1 37.5 1.0 O A:GLY75 4.2 15.0 1.0 ND2 B:ASN76 4.3 32.8 1.0 CA B:ASN76 4.4 24.6 1.0 CB A:ASN76 4.4 19.9 1.0 CB B:ASN76 4.5 26.9 1.0 CG B:GLU79 4.5 32.1 1.0 C B:GLY75 4.6 19.6 1.0 OE2 A:GLU79 4.6 34.8 1.0 CA A:ASN76 4.7 18.2 1.0 CD B:GLU79 4.7 35.7 1.0 C A:GLY75 4.8 14.4 1.0 N B:ASN76 4.9 21.1 1.0 CG A:GLU79 5.0 25.9 1.0

H.R.Rose, M.K.Ghosh, A.O.Maggiolo, C.J.Pollock, E.J.Blaesi, V.Hajj, Y.Wei, L.J.Rajakovich, W.C.Chang, Y.Han, M.Hajj, C.Krebs, A.Silakov, M.E.Pandelia, J.M.Bollinger, A.K.Boal. Structural Basis For Superoxide Activation of Flavobacterium Johnsoniae Class I Ribonucleotide Reductase and For Radical Initiation By Its Dimanganese Cofactor. Biochemistry V. 57 2679 2018.
ISSN: ISSN 1520-4995
PubMed: 29609464
DOI: 10.1021/ACS.BIOCHEM.8B00247