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

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

Resolution Low / High (Å)	72.63 / 1.90
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	48.356, 50.816, 79.285, 106.15, 105.03, 95.75
R / Rfree (%)	19.2 / 21.2

The structure of X-Ray Crystal Structure of Flavobacterium Johnsoniae Dimanganese(II) Ribonucleotide Reductase Beta Subunit (As-Isolated) 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 (As-Isolated) (pdb code 6cwq). 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 (As-Isolated), PDB code: 6cwq:
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 (As-Isolated)


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 (As-Isolated) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:30.8 occ:1.00 O A:HOH564 1.9 25.9 1.0 O A:HOH593 2.0 24.7 1.0 O A:HOH501 2.1 49.0 1.0 O A:HOH538 2.1 28.2 1.0 O A:HOH568 2.1 35.3 1.0 O A:HOH590 2.2 30.2 1.0 OE1 A:GLN143 3.8 29.8 1.0 OD1 A:ASN145 3.9 19.5 1.0 O A:PHE4 4.4 18.1 1.0 ND2 A:ASN145 4.4 19.2 1.0 O A:HIS80 4.4 14.9 1.0 O A:GLU79 4.5 17.3 1.0 O A:GLN143 4.5 19.2 1.0 CG A:ASN145 4.6 19.0 1.0 O A:HOH529 4.6 21.9 1.0 CA A:HIS80 4.9 15.8 1.0 CB A:PHE4 4.9 17.1 1.0

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


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 (As-Isolated) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg404 b:23.1 occ:1.00 O B:HOH508 1.8 37.2 1.0 O A:HOH559 1.9 38.1 1.0 O A:HOH557 2.1 32.6 1.0 OD1 B:ASN76 2.1 18.6 1.0 OD1 A:ASN76 2.1 19.8 1.0 O B:HOH542 3.2 54.0 1.0 CG A:ASN76 3.3 18.2 1.0 CG B:ASN76 3.3 17.7 1.0 ND2 A:ASN76 3.9 19.1 1.0 ND2 B:ASN76 4.0 18.5 1.0 OE2 A:GLU79 4.0 19.5 0.5 OE2 B:GLU79 4.0 28.7 1.0 O B:GLY75 4.2 16.6 1.0 O A:GLY75 4.2 15.8 1.0 O A:HOH578 4.2 20.5 1.0 O B:HOH551 4.5 23.6 1.0 CB B:ASN76 4.5 17.0 1.0 CD B:GLU79 4.5 25.8 1.0 CD A:GLU79 4.5 18.8 0.5 CB A:ASN76 4.5 17.1 1.0 CA B:ASN76 4.6 16.3 1.0 CA A:ASN76 4.7 16.4 1.0 C B:GLY75 4.9 15.9 1.0 OE2 A:GLU79 4.9 19.2 0.5 C A:GLY75 4.9 15.4 1.0 CG A:GLU79 4.9 18.2 0.5 CG B:GLU79 5.0 22.5 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