Magnesium in PDB 5e9u: Crystal Structure of Gtfa/B Complex Bound to Udp and Glcnac

The structure of Crystal Structure of Gtfa/B Complex Bound to Udp and Glcnac, PDB code: 5e9u was solved by Y.Chen, T.A.Rapoport, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	94.48 / 3.84
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	148.975, 196.005, 215.673, 90.00, 90.00, 90.00
R / Rfree (%)	26.9 / 33.7

The binding sites of Magnesium atom in the Crystal Structure of Gtfa/B Complex Bound to Udp and Glcnac (pdb code 5e9u). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Gtfa/B Complex Bound to Udp and Glcnac, PDB code: 5e9u:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of Gtfa/B Complex Bound to Udp and Glcnac


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 Gtfa/B Complex Bound to Udp and Glcnac within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg501 b:40.2 occ:1.00 OD1 B:ASP83 3.5 83.8 1.0 OE2 C:GLU230 3.5 0.6 1.0 OD2 B:ASP83 3.7 77.0 1.0 CG B:ASP83 4.0 77.7 1.0 OE1 C:GLU230 4.1 95.2 1.0 NE1 B:TRP70 4.2 67.9 1.0 CD C:GLU230 4.2 0.0 1.0 CE B:MSE84 4.4 97.8 1.0 NH2 C:ARG202 4.7 0.8 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of Gtfa/B Complex Bound to Udp and Glcnac


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 Gtfa/B Complex Bound to Udp and Glcnac within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg501 b:41.3 occ:1.00 NH2 A:ARG202 3.6 0.1 1.0 OD1 D:ASP83 3.6 79.5 1.0 NE1 D:TRP70 3.7 80.5 1.0 OE2 A:GLU230 3.8 0.5 1.0 OE1 A:GLU230 4.0 0.7 1.0 OD2 D:ASP83 4.2 85.9 1.0 CG D:ASP83 4.3 82.7 1.0 CZ2 D:TRP70 4.4 87.9 1.0 CE2 D:TRP70 4.4 81.4 1.0 CD A:GLU230 4.4 0.2 1.0 CZ A:ARG202 4.6 0.8 1.0 NH1 A:ARG202 4.7 0.2 1.0 CD1 D:TRP70 4.7 82.8 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of Gtfa/B Complex Bound to Udp and Glcnac


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Gtfa/B Complex Bound to Udp and Glcnac within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg601 b:40.3 occ:1.00 OE1 E:GLU230 3.0 0.8 1.0 OD1 H:ASP83 3.5 80.0 1.0 OE2 E:GLU230 3.7 85.4 1.0 NE2 E:GLN226 3.7 95.3 1.0 CD E:GLU230 3.7 93.0 1.0 NE1 H:TRP70 3.7 72.0 1.0 NH2 E:ARG202 4.3 0.7 1.0 CG H:ASP83 4.3 83.3 1.0 OD2 H:ASP83 4.4 81.6 1.0 NH1 E:ARG202 4.5 97.4 1.0 CD1 H:TRP70 4.6 72.5 1.0 CE2 H:TRP70 4.7 74.2 1.0 CZ E:ARG202 4.9 99.6 1.0 CG H:MSE84 4.9 0.2 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of Gtfa/B Complex Bound to Udp and Glcnac


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Gtfa/B Complex Bound to Udp and Glcnac within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg601 b:31.8 occ:1.00 OE2 G:GLU230 3.4 93.4 1.0 NH2 G:ARG202 3.6 0.0 1.0 NE1 F:TRP70 3.9 73.0 1.0 OD2 F:ASP83 4.0 72.2 1.0 CD G:GLU230 4.3 98.9 1.0 OD1 F:ASP83 4.4 85.6 1.0 OE1 G:GLU230 4.4 99.1 1.0 CG F:ASP83 4.6 78.4 1.0 CZ G:ARG202 4.6 1.0 1.0 NH1 G:ARG202 4.7 0.7 1.0 CD1 F:TRP70 4.8 80.1 1.0 CE2 F:TRP70 4.9 70.2 1.0

Y.Chen, R.Seepersaud, B.A.Bensing, P.M.Sullam, T.A.Rapoport. Mechanism of A Cytosolic O-Glycosyltransferase Essential For the Synthesis of A Bacterial Adhesion Protein. Proc.Natl.Acad.Sci.Usa V. 113 E1190 2016.
ISSN: ESSN 1091-6490
PubMed: 26884191
DOI: 10.1073/PNAS.1600494113