Manganese in PDB 8wmk: Structure of Cona/MAN2

The structure of Structure of Cona/MAN2, PDB code: 8wmk 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)	71.83 / 2.17
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	117.715, 113.841, 83.206, 90, 128.14, 90
R / Rfree (%)	22.8 / 26.7

The structure of Structure of Cona/MAN2 also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Manganese atom in the Structure of Cona/MAN2 (pdb code 8wmk). 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/MAN2, PDB code: 8wmk:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Structure of Cona/MAN2


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/MAN2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn306 b:32.4 occ:1.00 O A:HOH409 2.0 30.8 1.0 OD2 A:ASP10 2.1 25.7 1.0 NE2 A:HIS24 2.2 37.0 1.0 OD1 A:ASP19 2.2 30.6 1.0 OE2 A:GLU8 2.2 31.0 1.0 O A:HOH420 2.3 30.1 1.0 CE1 A:HIS24 3.0 37.0 1.0 CG A:ASP10 3.0 32.3 1.0 CG A:ASP19 3.1 34.0 1.0 CD A:GLU8 3.2 29.6 1.0 CD2 A:HIS24 3.3 37.9 1.0 CB A:ASP10 3.5 32.8 1.0 OD2 A:ASP19 3.5 27.8 1.0 OE1 A:GLU8 3.6 27.8 1.0 OG A:SER34 4.0 34.4 1.0 O A:HOH412 4.1 28.8 1.0 CA A:CA307 4.1 29.7 1.0 OD1 A:ASP10 4.2 31.5 1.0 ND1 A:HIS24 4.2 38.8 1.0 CG A:HIS24 4.4 40.2 1.0 CB A:ASP19 4.4 37.2 1.0 CG A:GLU8 4.6 30.0 1.0 O A:VAL32 4.6 38.0 1.0 CA A:ASP19 4.7 37.9 1.0

Manganese binding site 2 out of 2 in the Structure of Cona/MAN2


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/MAN2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn301 b:36.0 occ:1.00 OD1 B:ASP19 2.1 39.6 1.0 OD2 B:ASP10 2.1 35.9 1.0 O B:HOH402 2.1 27.8 1.0 OE2 B:GLU8 2.1 36.0 1.0 NE2 B:HIS24 2.2 40.9 1.0 O B:HOH411 2.2 32.0 1.0 CG B:ASP19 2.9 40.4 1.0 CE1 B:HIS24 3.1 44.7 1.0 CG B:ASP10 3.1 39.7 1.0 CD B:GLU8 3.2 40.4 1.0 CD2 B:HIS24 3.3 41.9 1.0 OD2 B:ASP19 3.4 32.7 1.0 CB B:ASP10 3.6 37.8 1.0 OE1 B:GLU8 3.7 38.0 1.0 O B:HOH409 3.9 28.5 1.0 CA B:CA302 4.0 37.0 1.0 CB B:ASP19 4.2 41.5 1.0 OD1 B:ASP10 4.2 43.0 1.0 ND1 B:HIS24 4.3 44.3 1.0 OG B:SER34 4.3 38.9 1.0 CG B:HIS24 4.4 43.2 1.0 CG B:GLU8 4.5 38.4 1.0 CA B:ASP19 4.5 46.4 1.0 O B:VAL32 4.7 45.5 1.0 CD B:PRO20 5.0 48.7 1.0

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