Calcium in PDB 7mg8: Concanavalin A Bound to A Dna Glycoconjugate, Man-Cgcg

The structure of Concanavalin A Bound to A Dna Glycoconjugate, Man-Cgcg, PDB code: 7mg8 was solved by B.E.Partridge, P.H.Winegar, C.A.Mirkin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	69.92 / 3.00
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	66.419, 69.92, 125.869, 90, 90, 90
R / Rfree (%)	23.3 / 28.4

The structure of Concanavalin A Bound to A Dna Glycoconjugate, Man-Cgcg also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Calcium atom in the Concanavalin A Bound to A Dna Glycoconjugate, Man-Cgcg (pdb code 7mg8). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Concanavalin A Bound to A Dna Glycoconjugate, Man-Cgcg, PDB code: 7mg8:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Concanavalin A Bound to A Dna Glycoconjugate, Man-Cgcg


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Concanavalin A Bound to A Dna Glycoconjugate, Man-Cgcg within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:60.8 occ:1.00 OD1 A:ASN14 2.3 57.4 1.0 OD1 A:ASP10 2.3 58.6 1.0 OD2 A:ASP19 2.3 82.3 1.0 O A:TYR12 2.3 63.9 1.0 OD2 A:ASP10 2.4 59.4 1.0 CG A:ASP10 2.6 50.9 1.0 CG A:ASN14 3.4 75.2 1.0 OD2 A:ASP208 3.4 107.9 1.0 CG A:ASP19 3.5 77.5 1.0 C A:TYR12 3.6 62.0 1.0 N A:ASN14 3.9 60.8 1.0 CB A:ASN14 4.0 78.5 1.0 CB A:ASP10 4.1 48.4 1.0 OD1 A:ASP19 4.1 92.1 1.0 MN A:MN301 4.2 72.8 1.0 CG A:ASP208 4.5 87.2 1.0 CA A:TYR12 4.5 59.4 1.0 CB A:TYR12 4.5 65.9 1.0 CA A:ARG228 4.5 64.0 1.0 ND2 A:ASN14 4.5 81.7 1.0 N A:PRO13 4.5 59.7 1.0 CA A:PRO13 4.6 59.9 1.0 CA A:ASN14 4.6 71.7 1.0 C A:PRO13 4.6 61.9 1.0 CB A:ASP19 4.6 66.7 1.0 O A:ARG228 4.6 50.5 1.0 O A:ASP208 4.7 68.1 1.0 CB A:ARG228 4.7 74.1 1.0 N A:TYR12 4.7 60.8 1.0 OD1 A:ASP208 4.8 91.3 1.0 CE1 A:HIS24 4.9 42.9 1.0 CD2 A:TYR12 4.9 66.0 1.0 CA A:ASP10 5.0 51.4 1.0

Calcium binding site 2 out of 2 in the Concanavalin A Bound to A Dna Glycoconjugate, Man-Cgcg


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Concanavalin A Bound to A Dna Glycoconjugate, Man-Cgcg within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca302 b:69.4 occ:1.00 OD1 B:ASP10 2.3 69.6 1.0 OD2 B:ASP19 2.3 78.0 1.0 OD1 B:ASN14 2.3 65.7 1.0 OD2 B:ASP10 2.4 65.1 1.0 CG B:ASP10 2.6 64.3 1.0 O B:TYR12 2.6 63.9 1.0 CG B:ASN14 3.4 65.8 1.0 CG B:ASP19 3.5 74.1 1.0 OD2 B:ASP208 3.5 61.8 1.0 N B:ASN14 3.8 67.3 1.0 C B:TYR12 3.9 62.2 1.0 CB B:ASN14 4.0 70.5 1.0 CB B:ASP10 4.1 55.9 1.0 MN B:MN301 4.1 59.1 1.0 OD1 B:ASP19 4.1 77.3 1.0 CG B:ASP208 4.4 66.3 1.0 CB B:ASP19 4.5 69.8 1.0 CA B:ASN14 4.5 71.3 1.0 ND2 B:ASN14 4.5 67.2 1.0 C B:PRO13 4.6 65.2 1.0 OD1 B:ASP208 4.6 69.9 1.0 O B:ARG228 4.7 48.0 1.0 CA B:PRO13 4.7 68.4 1.0 N B:PRO13 4.7 63.3 1.0 CA B:ARG228 4.8 49.8 1.0 CA B:TYR12 4.8 62.6 1.0 CE1 B:HIS24 4.8 56.7 1.0 O B:ASP208 4.8 68.8 1.0 N B:TYR12 4.8 63.6 1.0 CB B:TYR12 4.9 66.2 1.0 CA B:ASP10 4.9 52.8 1.0

B.E.Partridge, P.H.Winegar, Z.Han, C.A.Mirkin. Redefining Protein Interfaces Within Protein Single Crystals with Dna Journal of the American 2021CHEMICAL Society.
DOI: 10.1021/JACS.1C04191