Magnesium in PDB 7d4r: Spua Native Structure

The structure of Spua Native Structure, PDB code: 7d4r was solved by Y.Chen, Q.Zhang, M.Bartlam, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.96 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.769, 72.625, 63.774, 90, 98.99, 90
R / Rfree (%)	19.1 / 23.1

The binding sites of Magnesium atom in the Spua Native Structure (pdb code 7d4r). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Spua Native Structure, PDB code: 7d4r:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Spua Native Structure


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Spua Native Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:4.7 occ:1.00 OE2 A:GLU204 2.0 16.7 1.0 OG A:SER179 2.1 17.0 1.0 NE2 A:HIS181 2.2 18.5 1.0 ND1 A:HIS140 2.2 17.1 1.0 NE2 A:HIS156 2.2 20.0 1.0 O A:HOH426 2.4 15.7 1.0 HB3 A:HIS140 3.0 22.1 1.0 CD A:GLU204 3.1 15.7 1.0 CE1 A:HIS140 3.1 19.0 1.0 CE1 A:HIS181 3.1 13.9 1.0 CD2 A:HIS181 3.2 19.2 1.0 HB2 A:SER179 3.2 25.6 1.0 CE1 A:HIS156 3.2 19.5 1.0 CB A:SER179 3.2 21.3 1.0 HE1 A:HIS140 3.2 22.8 1.0 CD2 A:HIS156 3.2 18.2 1.0 CG A:HIS140 3.3 17.7 1.0 HE1 A:HIS181 3.3 16.7 1.0 HD2 A:HIS181 3.3 23.1 1.0 HE1 A:HIS156 3.3 23.4 1.0 HD2 A:HIS156 3.4 21.9 1.0 OE1 A:GLU204 3.4 18.5 1.0 CB A:HIS140 3.6 18.4 1.0 HA A:SER179 3.7 20.6 1.0 HB3 A:SER179 3.9 25.6 1.0 CA A:SER179 4.1 17.1 1.0 HD23 A:LEU202 4.2 19.9 1.0 HA A:HIS140 4.2 24.5 1.0 ND1 A:HIS181 4.2 16.2 1.0 HG3 A:GLN219 4.2 22.6 1.0 NE2 A:HIS140 4.3 17.6 1.0 CG A:HIS181 4.3 20.5 1.0 HB2 A:HIS140 4.3 22.1 1.0 ND1 A:HIS156 4.3 19.2 1.0 HG2 A:GLN219 4.4 22.6 1.0 CD2 A:HIS140 4.4 16.7 1.0 CG A:HIS156 4.4 18.9 1.0 CG A:GLU204 4.4 17.5 1.0 CA A:HIS140 4.5 20.4 1.0 O A:ASN178 4.5 19.5 1.0 O A:HIS140 4.5 19.7 1.0 HG2 A:GLU204 4.6 21.0 1.0 HG3 A:GLU204 4.6 21.0 1.0 HB2 A:ALA198 4.7 23.5 1.0 HG23 A:VAL177 4.7 23.0 1.0 CG A:GLN219 4.8 18.8 1.0 CD2 A:LEU202 5.0 16.6 1.0

Magnesium binding site 2 out of 2 in the Spua Native Structure


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Spua Native Structure within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:5.7 occ:1.00 OE2 B:GLU204 2.1 21.2 1.0 NE2 B:HIS181 2.1 20.9 1.0 O B:HOH418 2.1 20.1 1.0 ND1 B:HIS140 2.2 17.4 1.0 NE2 B:HIS156 2.3 19.2 1.0 OG B:SER179 2.3 18.8 1.0 HB3 B:HIS140 3.0 23.6 1.0 CD B:GLU204 3.1 16.2 1.0 CE1 B:HIS140 3.1 20.9 1.0 CE1 B:HIS181 3.1 19.0 1.0 CD2 B:HIS181 3.1 18.9 1.0 HB2 B:SER179 3.2 22.6 1.0 CE1 B:HIS156 3.2 20.7 1.0 HE1 B:HIS140 3.2 25.1 1.0 CG B:HIS140 3.2 19.6 1.0 CD2 B:HIS156 3.2 16.9 1.0 HE1 B:HIS181 3.3 22.8 1.0 CB B:SER179 3.3 18.9 1.0 HD2 B:HIS181 3.3 22.7 1.0 HE1 B:HIS156 3.3 24.8 1.0 OE1 B:GLU204 3.4 18.4 1.0 HD2 B:HIS156 3.4 20.3 1.0 CB B:HIS140 3.6 19.7 1.0 HA B:SER179 3.7 26.4 1.0 HB3 B:SER179 4.0 22.6 1.0 CA B:SER179 4.1 22.0 1.0 HD23 B:LEU202 4.2 22.5 1.0 HA B:HIS140 4.2 23.2 1.0 HG2 B:GLN219 4.2 20.8 1.0 ND1 B:HIS181 4.2 19.2 1.0 NE2 B:HIS140 4.2 18.3 1.0 CG B:HIS181 4.3 19.3 1.0 HG3 B:GLN219 4.3 20.8 1.0 ND1 B:HIS156 4.3 21.0 1.0 CD2 B:HIS140 4.3 17.5 1.0 HB2 B:HIS140 4.4 23.6 1.0 CG B:HIS156 4.4 20.5 1.0 CG B:GLU204 4.4 21.3 1.0 O B:HIS140 4.4 22.0 1.0 CA B:HIS140 4.5 19.3 1.0 O B:ASN178 4.6 20.2 1.0 HG2 B:GLU204 4.6 25.5 1.0 HB2 B:ALA198 4.6 22.8 1.0 HG3 B:GLU204 4.7 25.5 1.0 CG B:GLN219 4.7 17.3 1.0 CD2 B:LEU202 4.9 18.7 1.0 HG23 B:VAL177 4.9 22.1 1.0 HD22 B:LEU202 5.0 22.5 1.0 C B:HIS140 5.0 21.4 1.0 HE2 B:HIS140 5.0 21.9 1.0 HD1 B:HIS181 5.0 23.0 1.0

Y.Chen, Q.Zhang, M.Bartlam. Native Structure of Gama-Glutamyl-Gama-Aminobutyrate Hydrolase Spua From Pseudomonas Aeruginosa PAO1 at 1.60 Angstroms Resolution. To Be Published.