Magnesium in PDB 3a9b: CCCEL6C, A Glycoside Hydrolase Family 6 Enzyme, Complexed with Cellobiose

All present enzymatic activity of CCCEL6C, A Glycoside Hydrolase Family 6 Enzyme, Complexed with Cellobiose:
3.2.1.91;

The structure of CCCEL6C, A Glycoside Hydrolase Family 6 Enzyme, Complexed with Cellobiose, PDB code: 3a9b was solved by Y.Liu, M.Yoshida, Y.Kurakata, T.Miyazaki, A.Nishikawa, T.Tonozuka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.58 / 1.20
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	44.168, 45.395, 49.128, 77.57, 86.91, 68.60
R / Rfree (%)	14.8 / 16.9

The binding sites of Magnesium atom in the CCCEL6C, A Glycoside Hydrolase Family 6 Enzyme, Complexed with Cellobiose (pdb code 3a9b). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the CCCEL6C, A Glycoside Hydrolase Family 6 Enzyme, Complexed with Cellobiose, PDB code: 3a9b:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the CCCEL6C, A Glycoside Hydrolase Family 6 Enzyme, Complexed with Cellobiose


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of CCCEL6C, A Glycoside Hydrolase Family 6 Enzyme, Complexed with Cellobiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg396 b:16.9 occ:1.00 O A:HOH720 2.0 18.0 1.0 O A:HOH803 2.0 22.6 1.0 O A:HOH751 2.0 16.5 1.0 O A:HOH699 2.0 19.4 1.0 O A:GLY110 4.1 12.9 1.0 O A:ASP109 4.2 14.5 1.0 NE2 A:HIS113 4.4 19.6 1.0 O A:HOH460 4.4 24.8 1.0 O A:HOH774 4.4 22.7 1.0 O A:SER108 4.4 14.5 1.0 C A:ASP109 4.5 14.6 1.0 OD1 A:ASP109 4.6 17.2 0.5 CA A:ASP109 4.6 15.1 0.5 CA A:ASP109 4.7 15.0 0.5 C A:GLY110 4.8 12.3 1.0 CA A:GLU111 4.9 12.0 1.0

Magnesium binding site 2 out of 2 in the CCCEL6C, A Glycoside Hydrolase Family 6 Enzyme, Complexed with Cellobiose


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of CCCEL6C, A Glycoside Hydrolase Family 6 Enzyme, Complexed with Cellobiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg397 b:19.3 occ:1.00 O A:HOH729 2.0 19.3 1.0 O A:HOH579 2.1 27.8 1.0 O A:HOH741 2.2 19.2 1.0 O A:HOH783 3.9 21.5 1.0 O A:HOH907 4.1 19.9 1.0 OE2 A:GLU33 4.1 18.4 1.0 OE1 A:GLU33 4.2 15.2 1.0 CD A:GLU33 4.6 14.6 1.0 O A:TRP363 4.8 14.6 1.0

Y.Liu, M.Yoshida, Y.Kurakata, T.Miyazaki, K.Igarashi, M.Samejima, K.Fukuda, A.Nishikawa, T.Tonozuka. Crystal Structure of A Glycoside Hydrolase Family 6 Enzyme, CCCEL6C, A Cellulase Constitutively Produced By Coprinopsis Cinerea Febs J. V. 277 1532 2010.
ISSN: ISSN 1742-464X
PubMed: 20148970
DOI: 10.1111/J.1742-4658.2010.07582.X