Magnesium in PDB 4qce: Crystal Structure of Recombinant Alkali Thermostable GH10 Xylanase From Bacillus Sp. Ng-27

All present enzymatic activity of Crystal Structure of Recombinant Alkali Thermostable GH10 Xylanase From Bacillus Sp. Ng-27:
3.2.1.8;

The structure of Crystal Structure of Recombinant Alkali Thermostable GH10 Xylanase From Bacillus Sp. Ng-27, PDB code: 4qce was solved by P.Mahanta, A.Bhardwaj, V.S.Reddy, S.Ramakumar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.68 / 2.32
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.770, 75.650, 176.910, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 22.7

The structure of Crystal Structure of Recombinant Alkali Thermostable GH10 Xylanase From Bacillus Sp. Ng-27 also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Recombinant Alkali Thermostable GH10 Xylanase From Bacillus Sp. Ng-27 (pdb code 4qce). 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 Recombinant Alkali Thermostable GH10 Xylanase From Bacillus Sp. Ng-27, PDB code: 4qce:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Recombinant Alkali Thermostable GH10 Xylanase From Bacillus Sp. Ng-27


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 Recombinant Alkali Thermostable GH10 Xylanase From Bacillus Sp. Ng-27 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:7.4 occ:1.00 O A:HOH735 2.0 25.7 1.0 O A:ARG351 2.2 15.4 1.0 O A:HOH734 2.2 24.3 1.0 OD1 A:ASN292 2.3 16.9 1.0 O A:HOH506 2.5 10.8 1.0 OD1 A:ASP354 2.5 17.3 1.0 C A:ARG351 3.3 14.9 1.0 CG A:ASN292 3.5 16.9 1.0 CG A:ASP354 3.6 17.8 1.0 OD2 A:ASP354 4.0 18.1 1.0 O A:HOH713 4.1 25.8 1.0 CA A:ILE352 4.1 14.0 1.0 N A:ILE352 4.2 14.2 1.0 O A:HOH704 4.2 12.0 1.0 CB A:ASN292 4.2 16.3 1.0 CA A:ARG351 4.3 15.3 1.0 CA A:ASN292 4.3 15.7 1.0 O A:ASP354 4.5 17.5 1.0 ND2 A:ASN292 4.5 17.6 1.0 O A:ASN292 4.5 16.0 1.0 OE2 A:GLU296 4.5 20.3 1.0 CG A:GLU296 4.6 18.8 1.0 O A:HOH669 4.6 27.4 1.0 C A:ASP354 4.7 18.0 1.0 C A:ILE352 4.8 14.3 1.0 CB A:ARG351 4.8 15.6 1.0 C A:ASN292 4.8 16.1 1.0 CB A:ASP354 4.9 18.1 1.0 CD A:GLU296 5.0 19.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Recombinant Alkali Thermostable GH10 Xylanase From Bacillus Sp. Ng-27


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 Recombinant Alkali Thermostable GH10 Xylanase From Bacillus Sp. Ng-27 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:8.4 occ:1.00 O B:HOH679 1.9 19.3 1.0 O B:ARG351 2.2 20.1 1.0 OD1 B:ASN292 2.2 23.4 1.0 O B:HOH608 2.3 14.9 1.0 O B:HOH656 2.4 22.8 1.0 O B:HOH628 2.4 12.9 1.0 OD1 B:ASP354 2.5 21.0 1.0 C B:ARG351 3.3 19.9 1.0 CG B:ASN292 3.4 23.4 1.0 CG B:ASP354 3.6 21.6 1.0 OD2 B:ASP354 4.0 22.2 1.0 CB B:ASN292 4.2 22.5 1.0 N B:ILE352 4.2 19.3 1.0 CA B:ARG351 4.2 20.3 1.0 CA B:ILE352 4.2 19.3 1.0 CA B:ASN292 4.4 21.6 1.0 ND2 B:ASN292 4.4 24.6 1.0 O B:ASP354 4.4 20.3 1.0 O B:HOH536 4.5 12.4 1.0 O B:ASN292 4.5 22.0 1.0 C B:ASP354 4.7 21.1 1.0 CG B:GLU296 4.7 24.6 1.0 O B:HOH630 4.7 27.9 1.0 OE2 B:GLU296 4.7 26.9 1.0 CB B:ARG351 4.8 21.2 1.0 C B:ILE352 4.8 19.3 1.0 C B:ASN292 4.9 21.9 1.0 CB B:ASP354 4.9 21.4 1.0

P.Mahanta, A.Bhardwaj, K.Kumar, V.S.Reddy, S.Ramakumar. Crystal Structure of Recombinant Alkali Thermostable GH10 Xylanase From Bacillus Sp. Ng-27 To Be Published.