Magnesium in PDB 7cb4: Crystal Structures of of Blasnase

The structure of Crystal Structures of of Blasnase, PDB code: 7cb4 was solved by F.Lu, T.Ran, L.Jiao, W.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	85.52 / 2.04
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	92.08, 92.08, 230.65, 90, 90, 90
R / Rfree (%)	18.2 / 20.4

The binding sites of Magnesium atom in the Crystal Structures of of Blasnase (pdb code 7cb4). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Crystal Structures of of Blasnase, PDB code: 7cb4:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in the Crystal Structures of of Blasnase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structures of of Blasnase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg404 b:51.4 occ:1.00 O2 B:FMT403 2.3 46.5 1.0 OD2 B:ASP250 2.3 45.6 1.0 O B:ASN246 2.4 45.1 1.0 O B:HOH644 2.4 52.3 1.0 O B:HOH645 2.5 53.6 1.0 O B:HOH621 2.6 48.3 1.0 HH22 B:ARG223 3.3 45.0 1.0 H B:GLY219 3.4 39.9 1.0 CG B:ASP250 3.4 45.9 1.0 C B:FMT403 3.5 51.6 1.0 C B:ASN246 3.6 45.1 1.0 HA3 B:GLY219 3.7 40.9 1.0 OD1 B:ASP250 3.8 48.7 1.0 HB3 B:ASN246 3.8 44.5 1.0 HH21 B:ARG223 3.8 45.0 1.0 NH2 B:ARG223 3.8 45.0 1.0 HA B:MET247 4.0 42.0 1.0 H B:ASP250 4.0 46.1 1.0 H B:FMT403 4.1 51.6 1.0 N B:GLY219 4.1 39.9 1.0 HB2 B:ASP218 4.2 41.4 1.0 HA B:ASN246 4.2 41.3 1.0 O1 B:FMT403 4.2 56.3 1.0 CA B:GLY219 4.4 40.9 1.0 CA B:ASN246 4.4 41.3 1.0 O B:HOH616 4.5 47.1 1.0 N B:MET247 4.5 42.0 1.0 CB B:ASN246 4.6 44.5 1.0 CA B:MET247 4.6 42.0 1.0 CB B:ASP250 4.7 40.1 1.0 HB2 B:ASP250 4.7 40.1 1.0 N B:ASP250 4.7 46.1 1.0 H B:GLY249 4.8 45.2 1.0 C B:MET247 5.0 40.1 1.0

Magnesium binding site 2 out of 6 in the Crystal Structures of of Blasnase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structures of of Blasnase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg405 b:53.4 occ:1.00 OE1 B:GLU207 2.4 53.8 1.0 O A:HOH612 2.5 48.5 1.0 O B:GLU228 2.5 47.7 1.0 OE2 B:GLU207 2.6 48.4 1.0 O A:HOH637 2.7 48.9 1.0 CD B:GLU207 2.8 49.3 1.0 HB3 B:GLU228 3.3 44.8 1.0 MG A:MG405 3.5 53.4 1.0 HE3 A:LYS220 3.7 44.9 1.0 HZ2 A:LYS220 3.7 54.6 1.0 C B:GLU228 3.7 46.2 1.0 HE2 A:LYS220 3.7 44.9 1.0 OD2 A:ASP218 4.0 43.1 1.0 CB B:GLU228 4.1 44.8 1.0 CE A:LYS220 4.1 44.9 1.0 HB2 B:GLU228 4.1 44.8 1.0 O A:HOH556 4.2 57.3 1.0 HA3 B:GLY229 4.3 48.5 1.0 O B:HOH545 4.3 52.6 1.0 NZ A:LYS220 4.3 54.6 1.0 CG B:GLU207 4.3 46.4 1.0 CA B:GLU228 4.5 44.2 1.0 O B:HOH603 4.6 52.1 1.0 N B:GLY229 4.6 44.1 1.0 OE1 B:GLU228 4.7 65.7 1.0 HA B:GLU228 4.7 44.2 1.0 HG2 B:GLU207 4.8 46.4 1.0 CA B:GLY229 4.8 48.5 1.0 HG3 B:GLU207 4.8 46.4 1.0 HB2 B:GLU207 4.9 45.1 1.0 HZ1 A:LYS220 4.9 54.6 1.0 HZ3 A:LYS220 4.9 54.6 1.0 C B:GLY229 5.0 47.2 1.0

Magnesium binding site 3 out of 6 in the Crystal Structures of of Blasnase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structures of of Blasnase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg406 b:61.2 occ:1.00 O B:ASP295 2.5 36.8 1.0 O B:HOH608 2.7 46.6 1.0 O B:HOH569 2.8 37.3 1.0 O B:HOH646 3.1 45.5 1.0 O B:GLU268 3.3 36.0 1.0 O B:HOH563 3.4 41.8 1.0 H B:ASP297 3.4 34.5 1.0 C B:ASP295 3.6 37.1 1.0 N B:ASP297 3.7 34.5 1.0 HB2 B:ASP295 3.7 38.2 1.0 HB2 B:ASP297 3.7 33.6 1.0 O B:HOH626 4.0 44.4 1.0 HA B:ASP297 4.0 36.0 1.0 HD1 B:TYR159 4.0 37.6 1.0 C B:TYR296 4.0 40.4 1.0 C B:GLU268 4.1 38.3 1.0 O B:ALA267 4.2 35.1 1.0 CA B:ASP297 4.2 36.0 1.0 HA B:GLU269 4.3 38.9 1.0 HA B:GLU268 4.3 38.5 1.0 HA B:TYR296 4.3 38.9 1.0 HE1 B:TYR159 4.4 38.1 1.0 HA B:ASP295 4.4 37.6 1.0 CA B:ASP295 4.4 37.6 1.0 CB B:ASP297 4.5 33.6 1.0 CB B:ASP295 4.5 38.2 1.0 O B:HOH544 4.5 44.9 1.0 O B:TYR296 4.5 40.3 1.0 N B:TYR296 4.5 37.3 1.0 CA B:TYR296 4.6 38.9 1.0 CD1 B:TYR159 4.8 37.6 1.0 CA B:GLU268 4.8 38.5 1.0 N B:GLU269 4.9 35.3 1.0 CE1 B:TYR159 5.0 38.1 1.0 HB3 B:ASP297 5.0 33.6 1.0

Magnesium binding site 4 out of 6 in the Crystal Structures of of Blasnase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structures of of Blasnase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg405 b:53.4 occ:1.00 OD2 A:ASP218 2.2 43.1 1.0 OE2 B:GLU207 2.4 48.4 1.0 O A:HOH637 2.5 48.9 1.0 O B:HOH603 2.5 52.1 1.0 O A:HOH639 2.5 46.2 1.0 O A:HOH540 2.6 43.6 1.0 CD B:GLU207 3.1 49.3 1.0 HZ2 A:LYS220 3.2 54.6 1.0 CG A:ASP218 3.2 44.9 1.0 MG B:MG405 3.5 53.4 1.0 HB3 A:ASP218 3.5 38.7 1.0 HG3 B:GLU207 3.6 46.4 1.0 OE1 B:GLU207 3.8 53.8 1.0 O A:HOH612 3.9 48.5 1.0 CG B:GLU207 4.0 46.4 1.0 CB A:ASP218 4.0 38.7 1.0 NZ A:LYS220 4.0 54.6 1.0 OD1 A:ASP218 4.1 44.2 1.0 HZ1 A:LYS220 4.1 54.6 1.0 O B:HOH664 4.4 56.9 1.0 O B:HOH533 4.4 41.1 1.0 O2 B:FMT402 4.4 47.1 1.0 O A:HOH613 4.4 42.6 1.0 HB2 A:ASP218 4.5 38.7 1.0 O A:HOH556 4.5 57.3 1.0 HZ3 A:LYS220 4.5 54.6 1.0 HE3 A:LYS220 4.6 44.9 1.0 HG2 B:GLU207 4.6 46.4 1.0 HB2 B:GLU207 4.8 45.1 1.0 CE A:LYS220 4.8 44.9 1.0 C B:FMT402 4.8 47.0 1.0 H B:FMT402 5.0 47.0 1.0

Magnesium binding site 5 out of 6 in the Crystal Structures of of Blasnase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structures of of Blasnase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg406 b:47.4 occ:1.00 O A:HOH619 2.3 51.4 1.0 OD2 A:ASP250 2.3 44.6 1.0 O1 A:FMT404 2.3 40.7 1.0 O A:HOH632 2.3 54.1 1.0 O A:ASN246 2.4 41.7 1.0 O A:HOH555 2.5 43.9 1.0 HH22 A:ARG223 3.1 40.9 1.0 C A:FMT404 3.2 49.2 1.0 H A:FMT404 3.3 49.2 1.0 H A:GLY219 3.3 37.6 1.0 CG A:ASP250 3.4 46.0 1.0 C A:ASN246 3.6 45.0 1.0 HH21 A:ARG223 3.6 40.9 1.0 HA3 A:GLY219 3.6 38.3 1.0 NH2 A:ARG223 3.7 40.9 1.0 OD1 A:ASP250 3.8 42.7 1.0 HB3 A:ASN246 3.8 38.3 1.0 HA A:MET247 3.9 40.3 1.0 H A:ASP250 4.0 39.0 1.0 N A:GLY219 4.1 37.6 1.0 HA A:ASN246 4.2 41.2 1.0 HB2 A:ASP218 4.2 38.7 1.0 CA A:GLY219 4.3 38.3 1.0 CA A:ASN246 4.4 41.2 1.0 O2 A:FMT404 4.4 53.0 1.0 O A:HOH570 4.5 43.5 1.0 N A:MET247 4.5 38.2 1.0 CB A:ASN246 4.5 38.3 1.0 CA A:MET247 4.6 40.3 1.0 CB A:ASP250 4.7 34.9 1.0 H A:GLY249 4.7 39.9 1.0 HB2 A:ASP250 4.7 34.9 1.0 N A:ASP250 4.8 39.0 1.0 C A:MET247 4.9 40.2 1.0 CZ A:ARG223 5.0 42.8 1.0

Magnesium binding site 6 out of 6 in the Crystal Structures of of Blasnase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structures of of Blasnase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg407 b:62.5 occ:1.00 O A:ASP295 2.3 35.1 1.0 O A:HOH560 2.8 38.0 1.0 O A:HOH633 2.8 48.0 1.0 O A:HOH551 3.1 47.7 1.0 O A:GLU268 3.2 36.7 1.0 HB2 A:ASP295 3.3 33.6 1.0 C A:ASP295 3.5 33.6 1.0 O A:HOH545 3.6 43.9 1.0 HD1 A:TYR159 3.7 37.1 1.0 H A:ASP297 3.7 30.9 1.0 HE1 A:TYR159 3.9 37.7 1.0 HA A:GLU269 4.0 30.6 1.0 N A:ASP297 4.0 30.9 1.0 O A:HOH622 4.1 48.8 1.0 C A:GLU268 4.1 35.0 1.0 CB A:ASP295 4.1 33.6 1.0 O A:HOH512 4.2 41.6 1.0 HB2 A:ASP297 4.2 34.7 1.0 CA A:ASP295 4.2 32.8 1.0 C A:TYR296 4.2 34.8 1.0 HA A:ASP295 4.2 32.8 1.0 HA A:TYR296 4.3 34.7 1.0 CD1 A:TYR159 4.4 37.1 1.0 N A:TYR296 4.4 33.5 1.0 HA A:ASP297 4.5 34.5 1.0 CE1 A:TYR159 4.5 37.7 1.0 O A:ALA267 4.5 33.2 1.0 CA A:TYR296 4.6 34.7 1.0 HA A:GLU268 4.6 32.6 1.0 CA A:ASP297 4.7 34.5 1.0 O A:TYR296 4.7 35.7 1.0 CA A:GLU269 4.8 30.6 1.0 CG A:ASP295 4.8 38.2 1.0 N A:GLU269 4.8 31.4 1.0 HB3 A:ASP295 4.9 33.6 1.0 CB A:ASP297 4.9 34.7 1.0 O A:GLY270 4.9 30.6 1.0 O A:HOH532 5.0 34.7 1.0 H A:GLY270 5.0 30.7 1.0

T.Ran, L.Jiao, W.Wang, J.Chen, H.Chi, Z.Lu, C.Zhang, D.Xu, F.Lu. Structures of L-Asparaginase From Bacillus Licheniformis Reveal An Essential Residue For Its Substrate Stereoselectivity. J.Agric.Food Chem. V. 69 223 2021.
ISSN: ESSN 1520-5118
PubMed: 33371681
DOI: 10.1021/ACS.JAFC.0C06609