Magnesium in PDB 6gl0: Structure of ZGENGAGH5_4 in Complex with A Cellotriose

All present enzymatic activity of Structure of ZGENGAGH5_4 in Complex with A Cellotriose:
3.2.1.4;

The structure of Structure of ZGENGAGH5_4 in Complex with A Cellotriose, PDB code: 6gl0 was solved by J.Dorival, S.Ruppert, M.Gunnoo, A.Orlowski, M.Chapelais, J.Dabin, A.Labourel, D.Thompson, G.Michel, M.Czjzek, S.Genicot, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.87 / 2.20
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	84.574, 84.574, 117.661, 90.00, 90.00, 120.00
R / Rfree (%)	17.4 / 22.1

The binding sites of Magnesium atom in the Structure of ZGENGAGH5_4 in Complex with A Cellotriose (pdb code 6gl0). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Structure of ZGENGAGH5_4 in Complex with A Cellotriose, PDB code: 6gl0:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Structure of ZGENGAGH5_4 in Complex with A Cellotriose


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of ZGENGAGH5_4 in Complex with A Cellotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg404 b:29.5 occ:1.00 O A:HOH552 2.0 24.7 1.0 OD2 A:ASP288 2.0 28.3 1.0 O A:THR290 2.1 25.9 1.0 O A:HOH540 2.1 27.2 1.0 OG1 A:THR290 2.2 30.2 1.0 C A:THR290 3.0 27.2 1.0 CG A:ASP288 3.0 29.9 1.0 CB A:THR290 3.2 27.9 1.0 OD1 A:ASP288 3.4 31.1 1.0 CA A:THR290 3.5 26.5 1.0 N A:THR290 3.7 27.3 1.0 N A:TRP291 4.0 23.6 1.0 OD2 A:ASP296 4.1 30.7 1.0 O A:HOH571 4.2 46.5 1.0 OD1 A:ASP296 4.3 26.8 1.0 CB A:ASP288 4.3 29.6 1.0 CA A:TRP291 4.5 25.5 1.0 CG2 A:THR290 4.6 26.4 1.0 CG A:ASP296 4.6 31.0 1.0 C A:SER289 5.0 29.9 1.0

Magnesium binding site 2 out of 3 in the Structure of ZGENGAGH5_4 in Complex with A Cellotriose


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of ZGENGAGH5_4 in Complex with A Cellotriose within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg404 b:34.0 occ:1.00 OG1 B:THR290 2.0 30.0 1.0 O B:HOH527 2.1 36.7 1.0 OD2 B:ASP288 2.1 32.1 1.0 O B:THR290 2.1 31.2 1.0 C B:THR290 2.9 30.0 1.0 CB B:THR290 3.0 37.1 1.0 CG B:ASP288 3.1 38.1 1.0 CA B:THR290 3.3 35.7 1.0 OD1 B:ASP288 3.4 39.6 1.0 N B:THR290 3.6 33.1 1.0 N B:TRP291 3.9 31.2 1.0 O B:HOH536 4.0 31.2 1.0 OD2 B:ASP296 4.2 39.8 1.0 CG2 B:THR290 4.4 38.6 1.0 OD1 B:ASP296 4.4 34.8 1.0 CB B:ASP288 4.5 34.2 1.0 CA B:TRP291 4.5 34.4 1.0 CG B:ASP296 4.7 31.8 1.0 C B:SER289 4.9 34.3 1.0

Magnesium binding site 3 out of 3 in the Structure of ZGENGAGH5_4 in Complex with A Cellotriose


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of ZGENGAGH5_4 in Complex with A Cellotriose within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg404 b:35.2 occ:1.00 O C:HOH513 1.8 29.9 1.0 O C:HOH554 1.9 31.2 1.0 OD2 C:ASP288 2.2 40.7 1.0 O C:THR290 2.2 34.6 1.0 OG1 C:THR290 2.3 29.9 1.0 C C:THR290 3.1 29.4 1.0 CG C:ASP288 3.2 43.1 1.0 CB C:THR290 3.3 33.7 1.0 OD1 C:ASP288 3.5 42.9 1.0 CA C:THR290 3.6 31.6 1.0 N C:THR290 3.9 31.5 1.0 OD2 C:ASP296 4.0 33.5 1.0 OD1 C:ASP296 4.1 35.9 1.0 N C:TRP291 4.1 27.5 1.0 O C:HOH593 4.4 33.8 1.0 CG C:ASP296 4.4 35.9 1.0 CA C:TRP291 4.5 30.3 1.0 CB C:ASP288 4.5 40.3 1.0 CG2 C:THR290 4.7 35.4 1.0

J.Dorival, S.Ruppert, M.Gunnoo, A.Orlowski, M.Chapelais-Baron, J.Dabin, A.Labourel, D.Thompson, G.Michel, M.Czjzek, S.Genicot. The Laterally Acquired GH5ZGENGAGH5_4FROM the Marine Bacteriumzobellia Galactanivoransis Dedicated to Hemicellulose Hydrolysis. Biochem. J. V. 475 3609 2018.
ISSN: ESSN 1470-8728
PubMed: 30341165
DOI: 10.1042/BCJ20180486