Magnesium in PDB 8h46: Blasnase-T13A/P55N with L-Asn

The structure of Blasnase-T13A/P55N with L-Asn, PDB code: 8h46 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)	41.38 / 1.80
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	92.418, 92.418, 231.413, 90, 90, 90
R / Rfree (%)	18.3 / 20.6

The binding sites of Magnesium atom in the Blasnase-T13A/P55N with L-Asn (pdb code 8h46). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 7 binding sites of Magnesium where determined in the Blasnase-T13A/P55N with L-Asn, PDB code: 8h46:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7;

Magnesium binding site 1 out of 7 in the Blasnase-T13A/P55N 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/P55N with L-Asn within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:29.3 occ:0.00 O A:ASP295 2.3 26.0 1.0 O A:HOH626 2.7 37.6 1.0 O A:HOH583 2.8 26.5 1.0 O A:HOH689 2.9 36.6 1.0 O A:GLU268 3.2 25.4 1.0 C A:ASP295 3.5 27.6 1.0 O A:HOH611 3.6 33.2 1.0 O A:HOH575 3.7 36.6 1.0 N A:ASP297 4.1 27.1 1.0 C A:GLU268 4.1 28.2 1.0 CB A:ASP295 4.1 30.4 1.0 O A:HOH523 4.2 35.1 1.0 CA A:ASP295 4.2 27.0 1.0 C A:TYR296 4.3 28.9 1.0 CD1 A:TYR159 4.4 29.1 1.0 O A:ALA267 4.4 24.1 1.0 N A:TYR296 4.5 26.9 1.0 O A:HOH569 4.5 34.6 1.0 CE1 A:TYR159 4.6 32.1 1.0 CA A:TYR296 4.6 26.9 1.0 CA A:GLU269 4.7 23.0 1.0 CG A:ASP295 4.7 30.5 1.0 N A:GLU269 4.8 25.1 1.0 CA A:ASP297 4.8 26.8 1.0 O A:TYR296 4.8 29.6 1.0 O A:HOH576 4.9 29.9 1.0 CA A:GLU268 5.0 24.9 1.0 O A:GLY270 5.0 27.0 1.0 CB A:ASP297 5.0 27.1 1.0

Magnesium binding site 2 out of 7 in the Blasnase-T13A/P55N 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/P55N with L-Asn within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:35.1 occ:0.00 O B:HOH708 2.0 34.0 1.0 O A:HOH696 2.1 35.8 1.0 OD2 A:ASP218 2.2 32.8 1.0 O A:HOH662 3.1 47.4 1.0 CG A:ASP218 3.1 33.9 1.0 O B:HOH689 3.2 37.6 1.0 CB A:ASP218 3.4 33.2 1.0 O A:HOH560 3.4 28.7 1.0 OE2 B:GLU207 3.5 35.3 1.0 O A:HOH532 3.5 37.1 1.0 MG B:MG403 3.6 38.8 0.0 MG A:MG403 3.7 35.8 0.0 O2 A:FMT405 4.0 35.0 0.0 O B:HOH761 4.1 42.8 1.0 OD1 A:ASP218 4.3 32.0 1.0 O A:HOH531 4.3 29.7 1.0 CD B:GLU207 4.4 38.0 1.0 C A:FMT405 4.6 34.4 0.0 NZ A:LYS220 4.8 33.6 1.0 CA A:ASP218 4.8 31.7 1.0 OE1 B:GLU207 4.8 42.9 1.0

Magnesium binding site 3 out of 7 in the Blasnase-T13A/P55N 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/P55N with L-Asn within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:35.8 occ:0.00 O A:HOH696 2.2 35.8 1.0 O B:HOH761 2.5 42.8 1.0 O A:HOH526 2.6 36.9 1.0 O B:HOH689 2.6 37.6 1.0 MG A:MG402 3.7 35.1 0.0 O A:HOH559 3.7 34.2 1.0 O A:HOH531 4.0 29.7 1.0 O B:HOH708 4.0 34.0 1.0 O A:HOH698 4.1 40.2 1.0 O1 B:FMT405 4.4 32.8 0.0 O B:HOH705 4.4 52.0 1.0 O A:HOH560 4.5 28.7 1.0 OD2 A:ASP216 4.7 29.1 1.0 OD1 A:ASP216 4.8 29.3 1.0 O B:HOH625 4.9 32.8 1.0 O B:HOH691 5.0 37.3 1.0

Magnesium binding site 4 out of 7 in the Blasnase-T13A/P55N 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/P55N with L-Asn within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg404 b:34.4 occ:0.00 O A:HOH678 2.3 37.5 1.0 O A:ASN246 2.6 32.1 1.0 O A:HOH602 2.7 34.9 1.0 OD2 A:ASP250 3.0 38.0 1.0 O1 A:FMT405 3.2 33.9 0.0 O A:HOH598 3.4 32.0 1.0 O A:HOH669 3.5 49.9 1.0 C A:ASN246 3.5 34.0 1.0 C A:FMT405 3.8 34.4 0.0 CG A:ASP250 3.8 37.7 1.0 CA A:ASN246 4.1 29.8 1.0 OD1 A:ASP250 4.2 38.6 1.0 N A:GLY249 4.4 33.8 1.0 N A:ASP250 4.4 33.8 1.0 N A:MET247 4.5 29.8 1.0 CA A:GLY249 4.6 33.7 1.0 CB A:ASN246 4.6 28.4 1.0 CA A:MET247 4.7 27.9 1.0 C A:MET247 4.8 30.4 1.0 NH1 A:ARG223 4.8 33.3 1.0 N A:VAL248 4.9 30.1 1.0 O2 A:FMT405 4.9 35.0 0.0 C A:GLY249 5.0 34.2 1.0 CB A:ASP250 5.0 31.4 1.0

Magnesium binding site 5 out of 7 in the Blasnase-T13A/P55N 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/P55N with L-Asn within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:37.6 occ:0.00 O B:ASN246 2.1 37.8 1.0 O2 B:FMT404 2.1 38.0 0.0 OD2 B:ASP250 2.1 38.0 1.0 O B:HOH549 2.8 41.4 1.0 C B:FMT404 3.1 38.7 0.0 CG B:ASP250 3.3 41.2 1.0 C B:ASN246 3.3 40.5 1.0 NH1 B:ARG223 3.7 36.5 1.0 N B:GLY219 3.7 35.9 1.0 OD1 B:ASP250 3.8 40.9 1.0 CA B:GLY219 3.9 33.5 1.0 N B:MET247 4.2 34.2 1.0 CA B:MET247 4.2 33.4 1.0 O1 B:FMT404 4.2 39.2 0.0 CA B:ASN246 4.3 32.6 1.0 CB B:ASP250 4.4 34.8 1.0 CB B:ASN246 4.5 36.3 1.0 O B:HOH617 4.6 38.2 1.0 C B:MET247 4.7 34.9 1.0 N B:ASP250 4.7 37.2 1.0 O B:HOH717 4.8 30.0 1.0 C B:ASP218 4.8 37.9 1.0 O B:HOH722 4.8 50.4 1.0 C B:GLY219 4.8 32.7 1.0 O B:MET247 4.9 34.2 1.0 CZ B:ARG223 4.9 36.8 1.0 CB B:ASP218 5.0 35.6 1.0

Magnesium binding site 6 out of 7 in the Blasnase-T13A/P55N 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/P55N with L-Asn within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:31.9 occ:0.00 O B:HOH622 2.2 41.9 1.0 O B:ASP295 2.5 28.1 1.0 O B:HOH535 2.7 30.3 1.0 O B:GLU268 3.0 26.8 1.0 O B:HOH712 3.0 39.1 1.0 O B:HOH612 3.4 34.1 1.0 C B:ASP295 3.7 34.1 1.0 O B:HOH670 3.7 35.5 1.0 C B:GLU268 3.8 29.3 1.0 O B:HOH581 3.9 35.1 1.0 N B:ASP297 4.0 29.2 1.0 O B:ALA267 4.0 27.9 1.0 O B:HOH598 4.1 36.8 1.0 C B:TYR296 4.3 33.5 1.0 CB B:ASP295 4.4 33.4 1.0 CA B:ASP295 4.4 30.1 1.0 N B:GLU269 4.6 28.4 1.0 CA B:ASP297 4.6 27.3 1.0 CA B:GLU268 4.6 27.3 1.0 CA B:GLU269 4.6 27.3 1.0 N B:TYR296 4.7 30.1 1.0 CD1 B:TYR159 4.8 32.2 1.0 O B:TYR296 4.8 33.5 1.0 CA B:TYR296 4.8 30.4 1.0 CB B:ASP297 4.8 26.9 1.0 CE1 B:TYR159 4.9 32.6 1.0 O B:GLY270 5.0 28.9 1.0

Magnesium binding site 7 out of 7 in the Blasnase-T13A/P55N with L-Asn


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Blasnase-T13A/P55N with L-Asn within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg403 b:38.8 occ:0.00 OE1 B:GLU207 2.2 42.9 1.0 O B:HOH708 2.2 34.0 1.0 OE2 B:GLU207 2.5 35.3 1.0 CD B:GLU207 2.6 38.0 1.0 O A:HOH532 2.8 37.1 1.0 O B:GLU228 2.9 45.0 1.0 MG A:MG402 3.6 35.1 0.0 O B:HOH513 3.8 49.2 1.0 O B:HOH689 4.0 37.6 1.0 OD2 A:ASP218 4.0 32.8 1.0 C B:GLU228 4.0 40.2 1.0 O B:HOH705 4.2 52.0 1.0 CG B:GLU207 4.2 34.4 1.0 O A:HOH662 4.2 47.4 1.0 CE A:LYS220 4.4 33.7 1.0 NZ A:LYS220 4.4 33.6 1.0 CB B:GLU228 4.6 38.1 1.0 O B:HOH641 4.8 50.9 1.0 CB B:GLU207 4.8 34.0 1.0 N B:GLY229 4.9 36.3 1.0 CA B:GLY229 4.9 39.9 1.0 O B:HOH761 4.9 42.8 1.0 CA B:GLU228 4.9 38.2 1.0 C B:GLY229 5.0 40.2 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.