Calcium 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:

Manganese

(Mn)

2 atoms

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

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Cona/MAN3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca309 b:19.9 occ:1.00 OD2 A:ASP19 2.3 21.1 1.0 O A:TYR12 2.4 22.6 1.0 OD1 A:ASN14 2.4 19.2 1.0 O A:HOH422 2.4 16.4 1.0 O A:HOH410 2.4 18.0 1.0 OD1 A:ASP10 2.4 21.1 1.0 OD2 A:ASP10 2.4 17.9 1.0 CG A:ASP10 2.7 20.2 1.0 CG A:ASP19 3.4 23.1 1.0 CG A:ASN14 3.5 23.2 1.0 C A:TYR12 3.6 21.2 1.0 OD1 A:ASP19 3.9 22.6 1.0 CB A:ASN14 4.0 22.1 1.0 N A:ASN14 4.1 21.2 1.0 MN A:MN308 4.1 19.0 1.0 CB A:ASP10 4.3 20.5 1.0 CA A:TYR12 4.3 22.1 1.0 O A:HOH420 4.4 15.7 1.0 N A:TYR12 4.4 21.7 1.0 CB A:TYR12 4.5 23.7 1.0 CE1 A:HIS24 4.6 21.4 1.0 N A:PRO13 4.6 23.8 1.0 CB A:ASP19 4.6 25.4 1.0 ND2 A:ASN14 4.6 22.0 1.0 O A:ASP208 4.7 19.8 1.0 O A:ARG228 4.7 21.5 1.0 CA A:ASN14 4.7 22.7 1.0 OD1 A:ASP208 4.7 18.7 1.0 CB A:ARG228 4.7 21.6 1.0 CA A:ARG228 4.8 20.8 1.0 CA A:PRO13 4.8 24.4 1.0 NE2 A:HIS24 4.8 20.8 1.0 C A:PRO13 4.9 23.1 1.0

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Cona/MAN3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca302 b:23.5 occ:1.00 O B:HOH429 2.3 21.7 1.0 O B:TYR12 2.3 22.4 1.0 OD2 B:ASP19 2.3 29.6 1.0 O B:HOH419 2.3 22.6 1.0 OD1 B:ASN14 2.4 25.8 1.0 OD1 B:ASP10 2.4 23.5 1.0 OD2 B:ASP10 2.5 21.0 1.0 CG B:ASP10 2.7 23.5 1.0 CG B:ASP19 3.4 30.6 1.0 C B:TYR12 3.5 23.4 1.0 CG B:ASN14 3.5 33.5 1.0 OD1 B:ASP19 3.9 28.0 1.0 N B:ASN14 4.0 29.2 1.0 MN B:MN301 4.1 22.7 1.0 CB B:ASN14 4.1 30.4 1.0 CB B:ASP10 4.2 23.8 1.0 CA B:TYR12 4.4 26.8 1.0 O B:HOH411 4.4 18.8 1.0 N B:PRO13 4.4 28.2 1.0 CE1 B:HIS24 4.5 23.5 1.0 N B:TYR12 4.5 26.6 1.0 CA B:PRO13 4.5 28.5 1.0 C B:PRO13 4.6 30.4 1.0 ND2 B:ASN14 4.6 26.2 1.0 CB B:TYR12 4.6 28.3 1.0 O B:ASP208 4.7 25.4 1.0 CB B:ASP19 4.7 30.7 1.0 O B:ARG228 4.7 27.6 1.0 OD1 B:ASP208 4.7 23.7 1.0 CA B:ASN14 4.7 30.7 1.0 CB B:ARG228 4.8 30.8 1.0 NE2 B:HIS24 4.8 25.4 1.0 CA B:ARG228 4.8 29.4 1.0 CD2 B:TYR12 4.9 32.8 1.0

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