Manganese in PDB 8wmg: Structure of Cona/MAN3

The structure of Structure of Cona/MAN3, PDB code: 8wmg was solved by L.Li, G.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	66.02 / 1.97
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	111.928, 117.486, 131.864, 90, 90, 90
R / Rfree (%)	18.8 / 21.2

The structure of Structure of Cona/MAN3 also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Manganese atom in the Structure of Cona/MAN3 (pdb code 8wmg). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Structure of Cona/MAN3, PDB code: 8wmg:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Structure of Cona/MAN3


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure of Cona/MAN3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn308 b:19.0 occ:1.00 OE2 A:GLU8 2.1 22.3 1.0 OD2 A:ASP10 2.1 17.9 1.0 OD1 A:ASP19 2.1 22.6 1.0 NE2 A:HIS24 2.1 20.8 1.0 O A:HOH432 2.1 19.4 1.0 O A:HOH420 2.2 15.7 1.0 CG A:ASP19 3.0 23.1 1.0 CE1 A:HIS24 3.1 21.4 1.0 CG A:ASP10 3.1 20.2 1.0 CD A:GLU8 3.1 21.3 1.0 CD2 A:HIS24 3.2 22.4 1.0 OD2 A:ASP19 3.5 21.1 1.0 OE1 A:GLU8 3.5 24.4 1.0 CB A:ASP10 3.5 20.5 1.0 O A:HOH422 4.0 16.4 1.0 OG A:SER34 4.1 21.2 1.0 CA A:CA309 4.1 19.9 1.0 O A:HOH467 4.2 42.2 1.0 ND1 A:HIS24 4.2 20.2 1.0 CB A:ASP19 4.2 25.4 1.0 OD1 A:ASP10 4.2 21.1 1.0 CG A:HIS24 4.3 20.7 1.0 CG A:GLU8 4.5 23.2 1.0 O A:VAL32 4.5 24.9 1.0 CA A:ASP19 4.6 25.1 1.0

Manganese binding site 2 out of 2 in the Structure of Cona/MAN3


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Structure of Cona/MAN3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn301 b:22.7 occ:1.00 O B:HOH411 2.0 18.8 1.0 O B:HOH414 2.0 20.8 1.0 NE2 B:HIS24 2.0 25.4 1.0 OD2 B:ASP10 2.0 21.0 1.0 OE2 B:GLU8 2.1 25.7 1.0 OD1 B:ASP19 2.1 28.0 1.0 CE1 B:HIS24 3.0 23.5 1.0 CG B:ASP19 3.1 30.6 1.0 CG B:ASP10 3.1 23.5 1.0 CD B:GLU8 3.1 27.2 1.0 CD2 B:HIS24 3.1 25.3 1.0 CB B:ASP10 3.5 23.8 1.0 OE1 B:GLU8 3.5 24.3 1.0 OD2 B:ASP19 3.6 29.6 1.0 O B:HOH429 4.0 21.7 1.0 CA B:CA302 4.1 23.5 1.0 OG B:SER34 4.2 28.2 1.0 ND1 B:HIS24 4.2 22.2 1.0 OD1 B:ASP10 4.2 23.5 1.0 CG B:HIS24 4.2 23.6 1.0 CB B:ASP19 4.3 30.7 1.0 CG B:GLU8 4.5 30.7 1.0 CA B:ASP19 4.6 32.3 1.0 O B:VAL32 4.6 26.4 1.0

L.Li, G.Chen. Rational Design of Inducing Ligands with Three-Dimensional Supramolecular Interactions to Build Protein Crystalline Frameworks. To Be Published.