Magnesium in PDB 8j3y: Crystal Structure of CBM6E E168Q in Complex with Oligosaccharides

The structure of Crystal Structure of CBM6E E168Q in Complex with Oligosaccharides, PDB code: 8j3y was solved by C.He, F.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.15 / 1.28
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.479, 97.802, 72.421, 90, 108.4, 90
R / Rfree (%)	14.9 / 16.8

The binding sites of Magnesium atom in the Crystal Structure of CBM6E E168Q in Complex with Oligosaccharides (pdb code 8j3y). 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 CBM6E E168Q in Complex with Oligosaccharides, PDB code: 8j3y:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of CBM6E E168Q in Complex with Oligosaccharides


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 CBM6E E168Q in Complex with Oligosaccharides within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg504 b:14.0 occ:1.00 O A:ALA379 2.3 13.3 1.0 O A:HOH609 2.3 19.9 1.0 O A:ASN467 2.4 12.5 1.0 OD1 A:ASN467 2.4 13.6 1.0 OE1 A:GLU359 2.5 13.4 1.0 OE1 A:GLU357 2.6 28.0 1.0 OE2 A:GLU359 3.2 16.1 1.0 CD A:GLU359 3.2 13.3 1.0 C A:ASN467 3.3 11.6 1.0 C A:ALA379 3.5 12.6 1.0 CG A:ASN467 3.5 13.6 1.0 CA A:ASN467 3.7 12.0 1.0 CD A:GLU357 3.8 26.1 1.0 N A:ALA379 3.9 15.4 1.0 N A:ALA358 4.2 11.7 1.0 CB A:ASN467 4.2 13.6 1.0 CA A:ALA379 4.3 14.0 1.0 CB A:GLU357 4.3 15.5 1.0 N A:LEU378 4.3 16.1 1.0 N A:TRP468 4.4 11.5 1.0 N A:LYS380 4.4 12.8 1.0 CA A:GLY377 4.5 18.8 1.0 CG A:GLU357 4.6 16.8 1.0 CA A:LYS380 4.6 12.5 1.0 CA A:GLU357 4.6 14.0 1.0 ND2 A:ASN467 4.6 14.4 1.0 CG A:GLU359 4.7 12.8 1.0 OE2 A:GLU357 4.8 37.3 1.0 CB A:ALA379 4.8 16.0 1.0 CB A:TRP468 4.8 13.3 1.0 CB A:ALA358 4.9 12.9 1.0 C A:GLU357 4.9 11.9 1.0 N A:GLU359 4.9 11.6 1.0 CA A:TRP468 4.9 12.8 1.0 O A:PHE466 4.9 12.3 1.0 C A:GLY377 5.0 21.6 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of CBM6E E168Q in Complex with Oligosaccharides


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 CBM6E E168Q in Complex with Oligosaccharides within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:13.7 occ:1.00 O B:ALA379 2.3 13.6 1.0 O B:HOH643 2.3 20.9 1.0 O B:ASN467 2.4 13.2 1.0 OD1 B:ASN467 2.4 13.2 1.0 OE1 B:GLU359 2.5 13.9 1.0 OE1 B:GLU357 2.5 22.7 1.0 OE2 B:GLU359 3.1 15.5 1.0 CD B:GLU359 3.2 15.3 1.0 C B:ASN467 3.3 12.7 1.0 C B:ALA379 3.5 12.6 1.0 CG B:ASN467 3.6 13.3 1.0 CA B:ASN467 3.7 12.0 1.0 CD B:GLU357 3.7 22.4 1.0 N B:ALA379 4.0 14.6 1.0 CB B:ASN467 4.2 12.2 1.0 N B:ALA358 4.2 13.0 1.0 CA B:ALA379 4.3 14.6 1.0 CB B:GLU357 4.3 14.3 1.0 N B:LEU378 4.4 17.5 1.0 N B:TRP468 4.5 12.1 1.0 N B:LYS380 4.5 12.9 1.0 CG B:GLU357 4.5 17.9 1.0 CA B:GLY377 4.6 21.9 1.0 CA B:GLU357 4.6 12.7 1.0 CA B:LYS380 4.6 12.6 1.0 OE2 B:GLU357 4.6 32.2 1.0 ND2 B:ASN467 4.6 14.8 1.0 CG B:GLU359 4.7 14.3 1.0 CB B:ALA379 4.8 14.8 1.0 CB B:TRP468 4.8 14.4 1.0 C B:GLU357 4.9 12.8 1.0 N B:GLU359 4.9 12.4 1.0 CB B:ALA358 4.9 13.4 1.0 CA B:TRP468 4.9 13.0 1.0 CD1 B:TRP468 4.9 15.8 1.0 C B:GLY377 5.0 21.7 1.0 O B:PHE466 5.0 12.2 1.0

C.He, F.Li. Structural Insights Into CBM6E From Saccharophagus Degradans To Be Published.