Calcium 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:

Manganese

(Mn)

2 atoms

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

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


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/MAN2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca307 b:29.7 occ:1.00 O A:HOH416 2.2 25.6 1.0 OD2 A:ASP19 2.2 27.8 1.0 O A:HOH412 2.4 28.8 1.0 OD1 A:ASP10 2.4 31.5 1.0 OD2 A:ASP10 2.4 25.7 1.0 O A:TYR12 2.5 37.5 1.0 OD1 A:ASN14 2.5 31.1 1.0 CG A:ASP10 2.8 32.3 1.0 CG A:ASP19 3.4 34.0 1.0 CG A:ASN14 3.6 30.2 1.0 C A:TYR12 3.7 38.7 1.0 OD1 A:ASP19 3.9 30.6 1.0 N A:ASN14 4.0 35.6 1.0 MN A:MN306 4.1 32.4 1.0 CB A:ASN14 4.2 31.6 1.0 CB A:ASP10 4.3 32.8 1.0 O A:HOH420 4.3 30.1 1.0 CA A:TYR12 4.5 37.0 1.0 N A:TYR12 4.5 35.4 1.0 CE1 A:HIS24 4.6 37.0 1.0 CB A:ASP19 4.6 37.2 1.0 CB A:ARG228 4.6 34.8 1.0 O A:ASP208 4.6 34.4 1.0 N A:PRO13 4.6 39.1 1.0 OD1 A:ASP208 4.7 35.5 1.0 O A:ARG228 4.7 31.2 1.0 ND2 A:ASN14 4.7 30.0 1.0 CA A:ARG228 4.7 35.4 1.0 CB A:TYR12 4.7 39.5 1.0 CA A:ASN14 4.7 31.9 1.0 CA A:PRO13 4.8 39.9 1.0 C A:PRO13 4.8 38.0 1.0

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


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/MAN2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca302 b:37.0 occ:1.00 OD2 B:ASP19 2.2 32.7 1.0 O B:HOH409 2.3 28.5 1.0 OD1 B:ASN14 2.3 31.4 1.0 O B:HOH414 2.3 39.2 1.0 O B:TYR12 2.4 37.7 1.0 OD2 B:ASP10 2.5 35.9 1.0 OD1 B:ASP10 2.5 43.0 1.0 CG B:ASP10 2.8 39.7 1.0 CG B:ASP19 3.4 40.4 1.0 CG B:ASN14 3.4 37.7 1.0 C B:TYR12 3.6 39.5 1.0 OD1 B:ASP19 3.9 39.6 1.0 N B:ASN14 3.9 42.4 1.0 MN B:MN301 4.0 36.0 1.0 CB B:ASN14 4.1 37.5 1.0 O B:HOH411 4.3 32.0 1.0 CB B:ASP10 4.3 37.8 1.0 CA B:TYR12 4.4 38.0 1.0 N B:TYR12 4.5 41.1 1.0 CB B:TYR12 4.5 38.6 1.0 ND2 B:ASN14 4.5 38.7 1.0 CE1 B:HIS24 4.6 44.7 1.0 N B:PRO13 4.6 40.2 1.0 CB B:ASP19 4.6 41.5 1.0 C B:PRO13 4.6 40.8 1.0 CA B:ASN14 4.6 40.8 1.0 CA B:PRO13 4.7 39.8 1.0 O B:ARG228 4.7 39.0 1.0 O B:ASP208 4.7 37.9 1.0 CA B:ARG228 4.8 41.7 1.0 CB B:ARG228 4.9 43.6 1.0 NE2 B:HIS24 4.9 40.9 1.0 OD2 B:ASP208 4.9 39.0 1.0

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