Magnesium in PDB 8h4b: Blasnase-T13A/M57P with L-Asn

The structure of Blasnase-T13A/M57P with L-Asn, PDB code: 8h4b 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)	49.64 / 2.00
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	91.544, 91.544, 231.995, 90, 90, 90
R / Rfree (%)	18.6 / 20.7

The binding sites of Magnesium atom in the Blasnase-T13A/M57P with L-Asn (pdb code 8h4b). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Blasnase-T13A/M57P with L-Asn, PDB code: 8h4b:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in the Blasnase-T13A/M57P with L-Asn


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Blasnase-T13A/M57P with L-Asn within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:25.3 occ:0.00 O A:ASP295 2.5 23.4 1.0 O A:HOH593 2.6 25.9 1.0 O A:HOH627 2.8 30.0 1.0 O A:GLU268 2.8 24.3 1.0 O A:HOH677 2.9 27.2 1.0 O A:HOH631 3.5 34.3 1.0 C A:ASP295 3.6 23.2 1.0 C A:GLU268 3.7 24.8 1.0 O A:HOH562 4.0 27.8 1.0 N A:ASP297 4.1 23.1 1.0 O A:HOH656 4.2 29.8 1.0 O A:ALA267 4.2 22.3 1.0 CB A:ASP295 4.3 26.4 1.0 CA A:ASP295 4.4 23.6 1.0 C A:TYR296 4.4 23.9 1.0 O A:HOH572 4.4 34.0 1.0 N A:GLU269 4.5 24.8 1.0 CA A:GLU269 4.5 22.1 1.0 CA A:GLU268 4.6 22.9 1.0 N A:TYR296 4.6 22.8 1.0 CD1 A:TYR159 4.7 26.2 1.0 CA A:ASP297 4.7 21.7 1.0 CA A:TYR296 4.8 22.6 1.0 CE1 A:TYR159 4.8 27.9 1.0 O A:TYR296 4.9 23.4 1.0 CB A:ASP297 4.9 25.1 1.0

Magnesium binding site 2 out of 6 in the Blasnase-T13A/M57P with L-Asn


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Blasnase-T13A/M57P with L-Asn within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:36.5 occ:0.00 OD2 A:ASP218 2.0 34.9 1.0 O A:HOH683 2.1 37.5 1.0 O B:HOH694 2.1 37.1 1.0 CG A:ASP218 3.0 29.6 1.0 O A:HOH642 3.3 47.6 1.0 CB A:ASP218 3.3 27.8 1.0 O A:HOH558 3.5 30.2 1.0 OE2 B:GLU207 3.5 43.9 1.0 O A:HOH652 3.5 45.6 1.0 MG B:MG402 3.7 41.1 0.0 O B:HOH724 3.7 46.5 1.0 MG A:MG403 3.7 35.8 0.0 O1 A:FMT405 3.8 33.5 0.0 OD1 A:ASP218 4.2 32.6 1.0 O A:HOH582 4.4 26.7 1.0 CD B:GLU207 4.4 39.0 1.0 C A:FMT405 4.6 32.3 0.0 CA A:ASP218 4.8 24.0 1.0 OE1 B:GLU207 4.8 42.8 1.0 NZ A:LYS220 4.8 33.3 1.0

Magnesium binding site 3 out of 6 in the Blasnase-T13A/M57P with L-Asn


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Blasnase-T13A/M57P with L-Asn within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:35.8 occ:0.00 O A:HOH683 2.1 37.5 1.0 O B:HOH724 2.6 46.5 1.0 O B:HOH509 2.7 37.6 1.0 O A:HOH567 3.5 34.4 1.0 MG A:MG402 3.7 36.5 0.0 O B:HOH694 4.0 37.1 1.0 O A:HOH582 4.0 26.7 1.0 O A:HOH688 4.1 39.4 1.0 O1 B:FMT403 4.4 31.0 0.0 O A:HOH558 4.4 30.2 1.0 OD2 A:ASP216 4.5 26.3 1.0 OD1 A:ASP216 4.7 27.5 1.0 O B:HOH682 4.9 34.5 1.0 O B:HOH601 4.9 33.0 1.0 CG A:ASP216 4.9 25.0 1.0

Magnesium binding site 4 out of 6 in the Blasnase-T13A/M57P with L-Asn


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Blasnase-T13A/M57P with L-Asn within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg404 b:32.2 occ:0.00 O A:HOH671 2.2 38.8 1.0 O A:ASN246 2.7 34.6 1.0 O A:HOH561 2.7 33.4 1.0 OD2 A:ASP250 3.0 37.0 1.0 O2 A:FMT405 3.2 31.4 0.0 O A:HOH598 3.5 32.1 1.0 C A:ASN246 3.6 32.9 1.0 CG A:ASP250 3.7 30.6 1.0 C A:FMT405 3.8 32.3 0.0 OD1 A:ASP250 4.0 33.4 1.0 CA A:ASN246 4.2 29.4 1.0 N A:ASP250 4.3 27.9 1.0 N A:GLY249 4.4 28.1 1.0 CB A:ASN246 4.6 29.1 1.0 CA A:GLY249 4.6 28.9 1.0 NH1 A:ARG223 4.6 30.1 1.0 N A:MET247 4.6 27.2 1.0 C A:MET247 4.8 29.0 1.0 CA A:MET247 4.8 27.3 1.0 CB A:ASP250 4.9 27.8 1.0 C A:GLY249 4.9 28.4 1.0 O1 A:FMT405 5.0 33.5 0.0

Magnesium binding site 5 out of 6 in the Blasnase-T13A/M57P with L-Asn


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Blasnase-T13A/M57P with L-Asn within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:28.3 occ:0.00 O B:HOH572 2.1 37.7 1.0 O B:ASP295 2.5 25.9 1.0 O B:HOH692 2.6 29.9 1.0 O B:HOH616 2.7 25.8 1.0 O B:GLU268 3.0 21.5 1.0 O B:HOH627 3.5 33.2 1.0 C B:ASP295 3.7 30.9 1.0 O B:HOH607 3.8 29.2 1.0 C B:GLU268 3.9 27.6 1.0 O B:HOH612 3.9 37.5 1.0 N B:ASP297 4.1 25.0 1.0 CB B:ASP295 4.2 27.1 1.0 O B:ALA267 4.3 24.1 1.0 CA B:ASP295 4.4 31.1 1.0 C B:TYR296 4.4 31.1 1.0 CD1 B:TYR159 4.5 26.4 1.0 O B:HOH525 4.5 34.3 1.0 N B:GLU269 4.6 24.6 1.0 CA B:GLU269 4.6 25.0 1.0 N B:TYR296 4.7 28.5 1.0 CE1 B:TYR159 4.7 26.2 1.0 CA B:GLU268 4.7 23.2 1.0 CA B:TYR296 4.8 29.2 1.0 CA B:ASP297 4.8 26.2 1.0 O B:TYR296 4.8 28.0 1.0 O B:HOH636 4.9 24.1 1.0 CG B:ASP295 4.9 32.2 1.0 CB B:ASP297 5.0 25.0 1.0

Magnesium binding site 6 out of 6 in the Blasnase-T13A/M57P with L-Asn


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Blasnase-T13A/M57P with L-Asn within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:41.1 occ:0.00 O A:HOH652 2.1 45.6 1.0 OE1 B:GLU207 2.1 42.8 1.0 O B:HOH694 2.2 37.1 1.0 OE2 B:GLU207 2.5 43.9 1.0 CD B:GLU207 2.6 39.0 1.0 O B:GLU228 3.0 44.9 1.0 MG A:MG402 3.7 36.5 0.0 O B:HOH520 3.9 45.2 1.0 OD2 A:ASP218 4.0 34.9 1.0 O A:HOH642 4.1 47.6 1.0 C B:GLU228 4.1 33.2 1.0 CG B:GLU207 4.2 41.0 1.0 O B:HOH724 4.4 46.5 1.0 CE A:LYS220 4.4 29.5 1.0 CB B:GLU228 4.4 30.4 1.0 NZ A:LYS220 4.5 33.3 1.0 O B:HOH526 4.5 55.8 1.0 CB B:GLU207 4.8 33.3 1.0 CA B:GLU228 4.9 36.8 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.