Magnesium in PDB 8h48: Blasnase-T13A/P55F with L-Asn

The structure of Blasnase-T13A/P55F with L-Asn, PDB code: 8h48 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)	43.06 / 1.80
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	92.695, 92.695, 232.755, 90, 90, 90
R / Rfree (%)	18 / 20.4

The binding sites of Magnesium atom in the Blasnase-T13A/P55F with L-Asn (pdb code 8h48). 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/P55F with L-Asn, PDB code: 8h48:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in the Blasnase-T13A/P55F 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/P55F with L-Asn within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:24.1 occ:0.00 O A:HOH515 2.4 23.1 1.0 O A:ASP295 2.5 22.6 1.0 O A:HOH682 2.6 29.9 1.0 O A:HOH634 2.8 30.8 1.0 O A:GLU268 2.9 21.8 1.0 C A:ASP295 3.6 21.4 1.0 C A:GLU268 3.7 25.1 1.0 O A:HOH622 3.9 27.5 1.0 O A:ALA267 4.1 19.0 1.0 CB A:ASP295 4.1 23.1 1.0 CA A:ASP295 4.2 21.4 1.0 O A:HOH548 4.3 36.0 1.0 CA A:GLU269 4.3 19.5 1.0 N A:ASP297 4.4 18.3 1.0 O A:HOH518 4.4 29.6 1.0 N A:GLU269 4.4 21.1 1.0 C A:TYR296 4.5 22.5 1.0 O A:GLY270 4.6 24.2 1.0 N A:TYR296 4.6 21.4 1.0 O A:HOH656 4.6 30.1 1.0 CA A:GLU268 4.7 23.3 1.0 CD1 A:TYR159 4.8 23.9 1.0 CE1 A:TYR159 4.8 24.2 1.0 C A:GLU269 4.8 20.7 1.0 CG A:ASP295 4.8 25.1 1.0 CA A:TYR296 4.9 21.8 1.0 O A:TYR296 4.9 22.5 1.0 N A:GLY270 5.0 22.1 1.0

Magnesium binding site 2 out of 6 in the Blasnase-T13A/P55F 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/P55F with L-Asn within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:32.3 occ:0.00 O A:HOH692 2.1 33.5 1.0 O B:HOH507 2.3 36.6 1.0 O B:HOH710 2.5 38.8 1.0 OD2 A:ASP218 2.5 31.5 1.0 CB A:ASP218 3.3 24.5 1.0 CG A:ASP218 3.4 29.5 1.0 O A:HOH685 3.4 39.1 1.0 O1 A:FMT405 3.6 30.5 0.0 MG A:MG403 3.7 33.3 0.0 O A:HOH567 3.8 36.7 1.0 C A:FMT405 3.8 29.5 0.0 O A:HOH557 3.9 26.9 1.0 O B:HOH635 4.0 41.0 1.0 O A:HOH594 4.2 22.9 1.0 O B:HOH734 4.3 30.0 1.0 OE2 B:GLU207 4.4 33.8 1.0 O B:HOH518 4.5 30.0 1.0 OD1 A:ASP218 4.6 25.1 1.0 O2 A:FMT405 4.8 28.8 0.0 CA A:ASP218 4.8 24.4 1.0

Magnesium binding site 3 out of 6 in the Blasnase-T13A/P55F 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/P55F with L-Asn within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:33.3 occ:0.00 O A:HOH692 2.1 33.5 1.0 O B:HOH635 2.5 41.0 1.0 O A:HOH513 2.7 39.5 1.0 O B:HOH734 3.1 30.0 1.0 O B:HOH507 3.5 36.6 1.0 O A:HOH536 3.6 28.9 1.0 MG A:MG402 3.7 32.3 0.0 O A:HOH594 3.9 22.9 1.0 O B:HOH710 4.1 38.8 1.0 O A:HOH557 4.4 26.9 1.0 O B:HOH532 4.4 39.8 1.0 O1 B:FMT404 4.4 29.2 0.0 OD2 A:ASP216 4.7 24.2 1.0 OD1 A:ASP216 4.7 24.8 1.0

Magnesium binding site 4 out of 6 in the Blasnase-T13A/P55F 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/P55F with L-Asn within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg404 b:29.7 occ:0.00 O2 A:FMT405 2.1 28.8 0.0 O A:HOH681 2.4 36.1 1.0 O A:HOH543 2.4 32.5 1.0 OD2 A:ASP250 2.4 30.6 1.0 O A:ASN246 2.5 24.3 1.0 O A:HOH673 2.6 38.3 1.0 C A:FMT405 2.9 29.5 0.0 CG A:ASP250 3.4 29.6 1.0 NH1 A:ARG223 3.5 27.2 1.0 C A:ASN246 3.7 25.7 1.0 OD1 A:ASP250 3.8 30.3 1.0 O1 A:FMT405 4.0 30.5 0.0 N A:GLY219 4.0 22.0 1.0 CA A:GLY219 4.2 24.9 1.0 O A:HOH679 4.4 45.5 1.0 CA A:ASN246 4.5 23.9 1.0 O A:HOH637 4.6 42.4 1.0 CB A:ASN246 4.6 24.5 1.0 N A:MET247 4.7 22.6 1.0 O A:HOH685 4.7 39.1 1.0 CB A:ASP250 4.7 23.4 1.0 O A:HOH605 4.7 26.4 1.0 CZ A:ARG223 4.7 30.6 1.0 CA A:MET247 4.8 23.8 1.0 N A:ASP250 4.9 24.4 1.0

Magnesium binding site 5 out of 6 in the Blasnase-T13A/P55F 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/P55F with L-Asn within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:30.2 occ:0.00 O B:ASN246 2.4 29.0 1.0 O1 B:FMT403 2.5 29.0 0.0 OD2 B:ASP250 2.6 33.6 1.0 O B:HOH636 2.7 30.0 1.0 C B:FMT403 3.0 29.7 0.0 C B:ASN246 3.6 31.4 1.0 CG B:ASP250 3.7 29.9 1.0 NH1 B:ARG223 3.8 28.0 1.0 OD1 B:ASP250 4.2 34.1 1.0 N B:GLY219 4.2 23.9 1.0 O2 B:FMT403 4.2 30.7 0.0 CA B:ASN246 4.3 26.4 1.0 CB B:ASN246 4.4 27.2 1.0 CA B:GLY219 4.4 25.5 1.0 O B:HOH625 4.4 31.9 1.0 N B:MET247 4.6 26.3 1.0 CA B:MET247 4.7 26.5 1.0 CB B:ASP250 4.9 26.3 1.0 N B:ASP250 5.0 25.6 1.0

Magnesium binding site 6 out of 6 in the Blasnase-T13A/P55F 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/P55F with L-Asn within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:26.5 occ:0.00 O B:HOH709 2.2 30.0 1.0 O B:HOH605 2.3 25.5 1.0 O B:ASP295 2.5 24.0 1.0 O B:HOH706 2.5 33.5 1.0 O B:HOH623 2.5 36.0 1.0 O B:GLU268 2.9 24.8 1.0 C B:ASP295 3.5 26.4 1.0 C B:GLU268 3.8 26.5 1.0 O B:HOH599 3.8 29.6 1.0 CB B:ASP295 4.0 26.4 1.0 O B:ALA267 4.1 22.5 1.0 CA B:ASP295 4.1 24.7 1.0 O B:HOH659 4.2 30.0 1.0 O B:HOH622 4.3 34.0 1.0 O B:HOH519 4.3 32.5 1.0 CA B:GLU269 4.3 20.9 1.0 N B:ASP297 4.3 20.8 1.0 N B:GLU269 4.4 22.2 1.0 C B:TYR296 4.5 26.5 1.0 O B:GLY270 4.6 25.2 1.0 N B:TYR296 4.6 23.6 1.0 CA B:GLU268 4.7 24.4 1.0 CG B:ASP295 4.8 25.9 1.0 C B:GLU269 4.8 25.1 1.0 CA B:TYR296 4.9 24.1 1.0 CD1 B:TYR159 4.9 25.1 1.0 O B:TYR296 4.9 25.9 1.0 CE1 B:TYR159 4.9 25.3 1.0 N B:GLY270 5.0 24.2 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.