Magnesium in PDB 7d50: Spua Mutant - H221N with Glutamyl-Thioester

The structure of Spua Mutant - H221N with Glutamyl-Thioester, PDB code: 7d50 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)	41.32 / 1.77
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	38.691, 79.151, 145.324, 90, 90, 90
R / Rfree (%)	13.9 / 17.5

The binding sites of Magnesium atom in the Spua Mutant - H221N with Glutamyl-Thioester (pdb code 7d50). 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 Mutant - H221N with Glutamyl-Thioester, PDB code: 7d50:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Spua Mutant - H221N with Glutamyl-Thioester


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Spua Mutant - H221N with Glutamyl-Thioester within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:1.3 occ:1.00 OE2 A:GLU204 2.1 8.1 1.0 ND1 A:HIS140 2.1 9.6 1.0 O A:HOH419 2.2 8.1 1.0 OG A:SER179 2.2 8.1 1.0 NE2 A:HIS156 2.2 7.7 1.0 NE2 A:HIS181 2.2 7.5 1.0 CE1 A:HIS140 3.0 8.4 1.0 HB2 A:SER179 3.1 9.4 1.0 CD A:GLU204 3.1 7.7 1.0 HB3 A:HIS140 3.1 11.3 1.0 HE1 A:HIS140 3.1 10.2 1.0 CE1 A:HIS156 3.2 8.4 1.0 CE1 A:HIS181 3.2 5.9 1.0 CB A:SER179 3.2 7.8 1.0 CD2 A:HIS181 3.2 5.1 1.0 CD2 A:HIS156 3.2 8.3 1.0 CG A:HIS140 3.2 6.2 1.0 HE1 A:HIS156 3.3 10.2 1.0 HE1 A:HIS181 3.3 7.2 1.0 OE1 A:GLU204 3.4 7.7 1.0 HD2 A:HIS181 3.4 6.1 1.0 HD2 A:HIS156 3.4 10.0 1.0 CB A:HIS140 3.7 9.4 1.0 HA A:SER179 3.7 8.5 1.0 HB3 A:SER179 3.9 9.4 1.0 CA A:SER179 4.0 7.0 1.0 HG3 A:GLN219 4.2 5.7 1.0 NE2 A:HIS140 4.2 9.8 1.0 HA A:HIS140 4.2 10.1 1.0 HD23 A:LEU202 4.2 11.4 1.0 HG2 A:GLN219 4.3 5.7 1.0 ND1 A:HIS156 4.3 9.7 1.0 ND1 A:HIS181 4.3 4.9 1.0 CD2 A:HIS140 4.3 8.3 1.0 CG A:HIS181 4.4 6.8 1.0 CG A:HIS156 4.4 8.9 1.0 HB2 A:HIS140 4.4 11.3 1.0 CG A:GLU204 4.4 5.7 1.0 CA A:HIS140 4.5 8.4 1.0 O A:ASN178 4.5 7.8 1.0 O A:HIS140 4.5 7.8 1.0 HG2 A:GLU204 4.6 6.9 1.0 HG3 A:GLU204 4.6 6.9 1.0 HG23 A:VAL177 4.7 7.0 1.0 CG A:GLN219 4.7 4.7 1.0 HB2 A:ALA198 4.7 11.8 1.0 HD22 A:LEU202 4.9 11.4 1.0 HE2 A:HIS140 4.9 11.8 1.0 CD2 A:LEU202 4.9 9.5 1.0

Magnesium binding site 2 out of 2 in the Spua Mutant - H221N with Glutamyl-Thioester


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Spua Mutant - H221N with Glutamyl-Thioester within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:0.3 occ:1.00 OE2 B:GLU204 2.1 6.6 1.0 O B:HOH422 2.1 8.0 1.0 NE2 B:HIS181 2.2 5.2 1.0 ND1 B:HIS140 2.2 6.5 1.0 OG B:SER179 2.2 7.6 1.0 NE2 B:HIS156 2.3 7.5 1.0 HB3 B:HIS140 3.0 6.0 1.0 CD B:GLU204 3.1 7.1 1.0 CE1 B:HIS156 3.1 7.8 1.0 CE1 B:HIS140 3.1 7.8 1.0 CE1 B:HIS181 3.1 7.9 1.0 CD2 B:HIS181 3.2 6.2 1.0 HE1 B:HIS156 3.2 9.4 1.0 HB2 B:SER179 3.2 9.7 1.0 CG B:HIS140 3.2 7.4 1.0 HE1 B:HIS140 3.3 9.4 1.0 CB B:SER179 3.3 8.1 1.0 CD2 B:HIS156 3.3 9.4 1.0 HE1 B:HIS181 3.3 9.5 1.0 HD2 B:HIS181 3.3 7.5 1.0 OE1 B:GLU204 3.4 5.5 1.0 HD2 B:HIS156 3.5 11.3 1.0 CB B:HIS140 3.6 5.0 1.0 HA B:SER179 3.6 9.8 1.0 HB3 B:SER179 4.0 9.7 1.0 CA B:SER179 4.1 8.1 1.0 HA B:HIS140 4.1 11.8 1.0 HG3 B:GLN219 4.1 5.1 1.0 HD23 B:LEU202 4.2 8.5 1.0 ND1 B:HIS181 4.3 5.2 1.0 HG2 B:GLN219 4.3 5.1 1.0 NE2 B:HIS140 4.3 8.4 1.0 ND1 B:HIS156 4.3 8.7 1.0 CG B:HIS181 4.3 5.2 1.0 HB2 B:HIS140 4.3 6.0 1.0 CD2 B:HIS140 4.4 7.7 1.0 CG B:HIS156 4.4 9.2 1.0 CA B:HIS140 4.4 9.8 1.0 CG B:GLU204 4.4 7.7 1.0 O B:HIS140 4.6 8.3 1.0 O B:ASN178 4.6 7.5 1.0 HG2 B:GLU204 4.6 9.3 1.0 HG3 B:GLU204 4.6 9.3 1.0 CG B:GLN219 4.6 4.2 1.0 HB2 B:ALA198 4.8 10.0 1.0 HG23 B:VAL177 4.8 10.6 1.0 CD2 B:LEU202 5.0 7.1 1.0 HD22 B:LEU202 5.0 8.5 1.0 HB3 B:GLN219 5.0 7.2 1.0

Y.Chen, Q.Zhang, M.Bartlam. Spua Mutant - H221N with Glutamyl-Thioester To Be Published.