Magnesium in PDB 8iag: Crystal Structure of Rdcaupo A161C Mutant From Daldinia Caldariorum

The structure of Crystal Structure of Rdcaupo A161C Mutant From Daldinia Caldariorum, PDB code: 8iag was solved by T.Li, Y.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.04 / 1.50
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	74.558, 107.52, 120.016, 90, 90, 90
R / Rfree (%)	14.3 / 15.5

The structure of Crystal Structure of Rdcaupo A161C Mutant From Daldinia Caldariorum also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Rdcaupo A161C Mutant From Daldinia Caldariorum (pdb code 8iag). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Rdcaupo A161C Mutant From Daldinia Caldariorum, PDB code: 8iag:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Rdcaupo A161C Mutant From Daldinia Caldariorum


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Rdcaupo A161C Mutant From Daldinia Caldariorum within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg305 b:10.6 occ:1.00 OE2 A:GLU87 2.0 13.0 1.0 O A:HOH457 2.1 12.8 1.0 O A:HIS88 2.1 11.6 1.0 O A:HOH503 2.1 13.1 1.0 O2A A:HEM301 2.1 12.2 1.0 OG A:SER91 2.2 12.2 1.0 CD A:GLU87 3.1 13.8 1.0 CGA A:HEM301 3.1 13.9 1.0 C A:HIS88 3.2 12.3 1.0 CB A:SER91 3.4 13.2 1.0 O1A A:HEM301 3.4 14.2 1.0 N A:HIS88 3.5 12.1 1.0 CG A:GLU87 3.6 13.8 1.0 CA A:HIS88 4.0 12.1 1.0 O A:HOH476 4.0 13.3 1.0 O A:HOH468 4.2 13.6 1.0 OE1 A:GLU87 4.2 14.3 1.0 N A:ASP89 4.3 11.9 1.0 O A:HOH410 4.4 13.1 1.0 CA A:SER91 4.5 11.1 1.0 N A:SER91 4.5 11.8 1.0 O A:PRO102 4.5 14.0 1.0 CBA A:HEM301 4.5 12.6 1.0 C A:GLU87 4.5 13.9 1.0 CA A:ASP89 4.6 12.2 1.0 CB A:PRO102 4.6 14.9 1.0 ND1 A:HIS88 4.6 13.3 1.0 CB A:ARG94 4.7 12.9 1.0 O A:GLN95 4.7 13.2 1.0 C A:ASP89 4.7 11.5 1.0 CB A:GLU87 4.8 13.0 1.0 CA A:GLU87 4.8 13.5 1.0 O A:ASP89 4.8 12.5 1.0 CG A:HIS88 4.8 13.7 1.0 CE1 A:HIS88 5.0 14.3 1.0 CAA A:HEM301 5.0 10.4 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Rdcaupo A161C Mutant From Daldinia Caldariorum


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Rdcaupo A161C Mutant From Daldinia Caldariorum within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg306 b:10.8 occ:1.00 OE2 B:GLU87 2.1 14.1 1.0 O B:HOH513 2.1 14.1 1.0 O B:HOH450 2.1 14.0 1.0 O B:HIS88 2.1 13.6 1.0 OG B:SER91 2.1 12.3 1.0 O2A B:HEM301 2.2 13.9 1.0 CD B:GLU87 3.1 14.3 1.0 CGA B:HEM301 3.2 13.6 1.0 C B:HIS88 3.3 13.2 1.0 CB B:SER91 3.3 12.3 1.0 O1A B:HEM301 3.5 15.3 1.0 N B:HIS88 3.6 13.0 1.0 CG B:GLU87 3.6 13.6 1.0 O B:HOH495 4.0 14.3 1.0 CA B:HIS88 4.0 12.6 1.0 O B:HOH492 4.1 13.8 1.0 OE1 B:GLU87 4.2 16.0 1.0 N B:ASP89 4.3 14.1 1.0 O B:HOH416 4.4 14.6 1.0 CA B:SER91 4.4 11.9 1.0 N B:SER91 4.5 11.9 1.0 O B:PRO102 4.5 15.9 1.0 CBA B:HEM301 4.5 13.3 1.0 C B:GLU87 4.6 14.1 1.0 CB B:ARG94 4.6 12.4 1.0 CA B:ASP89 4.6 13.9 1.0 ND1 B:HIS88 4.7 14.0 1.0 CB B:PRO102 4.7 18.5 1.0 O B:GLN95 4.7 14.5 1.0 C B:ASP89 4.7 13.0 1.0 CB B:GLU87 4.8 12.9 1.0 CA B:GLU87 4.8 13.3 1.0 O B:ASP89 4.9 14.6 1.0 CG B:HIS88 4.9 13.3 1.0 CAA B:HEM301 5.0 12.4 1.0

T.Li, Y.Wang. Crystal Structure of Rdcaupo A161C Mutant From Daldinia Caldariorum To Be Published.