Magnesium in PDB 8h4g: Blasnase-T13A/M57N

The structure of Blasnase-T13A/M57N, PDB code: 8h4g was solved by F.Lu, W.Wang, H.Chi, T.Ran, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.95 / 1.81
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	92.308, 92.308, 233.134, 90, 90, 90
R / Rfree (%)	19.6 / 20.5

The binding sites of Magnesium atom in the Blasnase-T13A/M57N (pdb code 8h4g). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Blasnase-T13A/M57N, PDB code: 8h4g:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Blasnase-T13A/M57N


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Blasnase-T13A/M57N within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:35.1 occ:0.00 O1 A:FMT403 2.2 34.9 0.0 O A:HOH691 2.2 41.0 1.0 OD2 A:ASP250 2.4 37.6 1.0 O A:HOH519 2.5 36.2 1.0 O A:HOH686 2.5 40.2 1.0 O A:ASN246 2.5 30.4 1.0 CG A:ASP250 3.3 32.8 1.0 C A:FMT403 3.4 35.8 0.0 OD1 A:ASP250 3.6 35.4 1.0 C A:ASN246 3.7 31.9 1.0 NH1 A:ARG223 3.8 32.7 1.0 O2 A:FMT403 4.3 36.1 0.0 N A:GLY219 4.3 26.9 1.0 O A:HOH730 4.3 46.7 1.0 O A:HOH630 4.4 31.3 1.0 CA A:GLY219 4.4 30.6 1.0 CA A:ASN246 4.4 31.5 1.0 O A:HOH672 4.4 48.6 1.0 CB A:ASP250 4.6 28.2 1.0 N A:ASP250 4.6 29.0 1.0 CB A:ASN246 4.6 32.2 1.0 N A:MET247 4.7 28.4 1.0 CA A:MET247 4.7 26.8 1.0 C A:MET247 5.0 28.0 1.0

Magnesium binding site 2 out of 3 in the Blasnase-T13A/M57N


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Blasnase-T13A/M57N within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:28.6 occ:0.00 O A:HOH703 2.3 32.5 1.0 O A:HOH535 2.3 28.2 1.0 O A:ASP295 2.4 26.3 1.0 O A:GLU268 2.9 27.6 1.0 O A:HOH568 2.9 33.0 1.0 C A:ASP295 3.5 27.3 1.0 C A:GLU268 3.7 28.8 1.0 CB A:ASP295 3.8 26.8 1.0 O A:HOH608 3.9 32.6 1.0 CA A:ASP295 4.0 26.6 1.0 CA A:GLU269 4.1 26.5 1.0 O A:HOH555 4.2 34.6 1.0 N A:GLU269 4.3 26.1 1.0 O A:ALA267 4.3 24.4 1.0 O1 A:FMT406 4.3 20.0 1.0 O A:GLY270 4.5 27.9 1.0 CG A:ASP295 4.5 29.2 1.0 C A:GLU269 4.6 28.0 1.0 N A:TYR296 4.6 28.0 1.0 N A:ASP297 4.6 24.6 1.0 N A:GLY270 4.6 24.8 1.0 C A:TYR296 4.7 29.2 1.0 CE1 A:TYR159 4.7 31.0 1.0 CD1 A:TYR159 4.7 29.1 1.0 CA A:GLU268 4.7 28.4 1.0 CA A:TYR296 4.9 27.4 1.0 OD2 A:ASP295 4.9 30.7 1.0

Magnesium binding site 3 out of 3 in the Blasnase-T13A/M57N


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Blasnase-T13A/M57N within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:31.3 occ:0.00 O B:HOH608 2.2 30.7 1.0 O B:HOH507 2.3 36.8 1.0 O B:HOH750 2.4 34.9 1.0 O B:ASP295 2.6 26.3 1.0 O B:GLU268 2.7 29.2 1.0 O B:HOH612 2.7 39.1 1.0 C B:GLU268 3.5 30.4 1.0 C B:ASP295 3.6 30.2 1.0 O B:HOH599 3.9 35.1 1.0 CB B:ASP295 3.9 30.9 1.0 CA B:GLU269 4.0 27.6 1.0 O B:ALA267 4.0 29.1 1.0 N B:GLU269 4.1 27.4 1.0 CA B:ASP295 4.1 30.6 1.0 O B:HOH565 4.1 33.5 1.0 O1 B:FMT406 4.2 20.0 1.0 O B:GLY270 4.4 30.1 1.0 C B:GLU269 4.5 30.4 1.0 CA B:GLU268 4.6 29.1 1.0 N B:ASP297 4.6 26.1 1.0 N B:GLY270 4.6 30.9 1.0 CG B:ASP295 4.7 31.2 1.0 C B:TYR296 4.7 30.0 1.0 N B:TYR296 4.7 28.4 1.0 CD1 B:TYR159 4.9 30.4 1.0 CE1 B:TYR159 4.9 30.4 1.0 O B:HOH616 4.9 39.5 1.0

F.Lu, W.Wang, H.Chi, T.Ran. Structure-Based Rational Design of Bacillus Licheniformis L-Asparaginase with Low/No D-Asparaginase Activity For A Safer Enzyme To Be Published.