Magnesium in PDB 5e75: Crystal Structure of BACOVA_02651

The structure of Crystal Structure of BACOVA_02651, PDB code: 5e75 was solved by N.M.Koropatkin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.48 / 1.36
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.800, 81.410, 57.680, 90.00, 107.85, 90.00
R / Rfree (%)	14.7 / 17.4

The structure of Crystal Structure of BACOVA_02651 also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of BACOVA_02651 (pdb code 5e75). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of BACOVA_02651, PDB code: 5e75:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of BACOVA_02651


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 BACOVA_02651 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg607 b:16.1 occ:1.00 O A:HOH777 2.0 16.8 1.0 O A:HOH770 2.1 16.6 1.0 HG23 A:ILE513 3.7 31.0 1.0 OE1 A:GLU516 4.1 20.5 1.0 OD2 A:ASP519 4.1 14.4 1.0 O A:HOH837 4.1 32.1 1.0 OD1 A:ASP519 4.1 14.1 1.0 O A:HOH1087 4.3 26.1 1.0 O A:ASN514 4.3 15.1 1.0 HG21 A:ILE513 4.5 31.0 1.0 CG2 A:ILE513 4.5 25.8 1.0 HG13 A:ILE513 4.6 43.5 1.0 CG A:ASP519 4.6 14.4 1.0 HG3 A:GLU516 4.9 17.9 1.0 HB2 A:GLU516 5.0 16.1 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of BACOVA_02651


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of BACOVA_02651 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg608 b:31.6 occ:1.00 O A:HOH748 1.9 30.9 1.0 O A:HOH1059 2.0 23.4 1.0 O A:HOH716 2.2 24.0 1.0 O A:HOH1093 2.3 32.9 1.0 OE2 A:GLU179 3.6 41.0 1.0 O A:HOH734 3.6 23.4 1.0 O A:HOH1018 4.0 29.2 1.0 HG2 A:ARG221 4.0 13.4 1.0 CD A:GLU179 4.0 41.5 1.0 O A:TRP224 4.0 14.2 1.0 OE1 A:GLU179 4.0 28.8 1.0 O A:ARG221 4.3 12.0 1.0 HB2 A:ASN226 4.3 16.9 1.0 HG3 A:ARG221 4.6 13.4 1.0 HB3 A:TRP224 4.6 14.8 1.0 OD1 A:ASN226 4.7 22.5 1.0 CG A:ARG221 4.7 11.2 1.0 HD2 A:ARG221 4.7 14.1 1.0 HG3 A:GLU179 5.0 31.7 1.0

A.S.Tauzin, K.J.Kwiatkowski, N.I.Orlovsky, C.J.Smith, A.L.Creagh, C.A.Haynes, Z.Wawrzak, H.Brumer, N.M.Koropatkin. Molecular Dissection of Xyloglucan Recognition in A Prominent Human Gut Symbiont. Mbio V. 7 02134 2016.
ISSN: ESSN 2150-7511
PubMed: 27118585
DOI: 10.1128/MBIO.02134-15