Magnesium in PDB 7pnd: Crystal Structure of Profragilysin-3 (Probft-3) From Bacteroides Fragilis at 1.85 A Resolution.

The structure of Crystal Structure of Profragilysin-3 (Probft-3) From Bacteroides Fragilis at 1.85 A Resolution., PDB code: 7pnd was solved by U.Eckhard, T.Guevara, F.X.Gomis-Ruth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	63.07 / 1.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	68.72, 82.74, 158.9, 90, 90, 90
R / Rfree (%)	18.9 / 21.1

The structure of Crystal Structure of Profragilysin-3 (Probft-3) From Bacteroides Fragilis at 1.85 A Resolution. also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Profragilysin-3 (Probft-3) From Bacteroides Fragilis at 1.85 A Resolution. (pdb code 7pnd). 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 Crystal Structure of Profragilysin-3 (Probft-3) From Bacteroides Fragilis at 1.85 A Resolution., PDB code: 7pnd:

Magnesium binding site 1 out of 1 in the Crystal Structure of Profragilysin-3 (Probft-3) From Bacteroides Fragilis at 1.85 A Resolution.


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 Profragilysin-3 (Probft-3) From Bacteroides Fragilis at 1.85 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:60.6 occ:1.00 OE2 A:GLU108 2.1 42.2 1.0 O B:HOH599 2.2 24.8 1.0 O A:HOH557 2.3 25.1 1.0 OE2 B:GLU108 2.3 40.0 1.0 O A:HOH559 2.9 41.4 1.0 O B:HOH529 2.9 40.6 1.0 CD A:GLU108 3.3 39.3 1.0 CD B:GLU108 3.5 37.5 1.0 O A:HOH807 3.7 72.1 1.0 O B:HOH752 3.8 56.7 1.0 CG A:GLU108 4.1 29.2 1.0 OE1 A:GLU108 4.1 43.3 1.0 CB A:ASP107 4.3 21.5 1.0 O A:HOH587 4.3 47.9 1.0 OE1 B:GLU108 4.3 37.9 1.0 CG B:GLU108 4.3 28.3 1.0 O B:HOH526 4.3 44.8 1.0 CB B:ASP107 4.4 21.0 1.0 OD1 A:ASP107 4.4 23.7 1.0 OD1 B:ASP107 4.4 23.7 1.0 OE2 A:GLU88 4.8 43.6 1.0 OE2 B:GLU88 4.8 45.6 1.0 CG A:ASP107 4.9 23.6 1.0 CG B:ASP107 4.9 22.7 1.0

A.Jimenez-Alesanco, U.Eckhard, M.Asencio Del Rio, S.Vega, T.Guevara, A.Velazquez-Campoy, F.X.Gomis-Ruth, O.Abian. Repositioning Small Molecule Drugs As Allosteric Inhibitors of the Bft-3 Toxin From Enterotoxigenic Bacteroides Fragilis. Protein Sci. V. 31 E4427 2022.
ISSN: ESSN 1469-896X
PubMed: 36173175
DOI: 10.1002/PRO.4427