Calcium in PDB 7mga: Concanavalin A Bound to A Dna Glycoconjugate, Man-Aaattt

The structure of Concanavalin A Bound to A Dna Glycoconjugate, Man-Aaattt, PDB code: 7mga 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)	57.90 / 2.00
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	65.09, 77.78, 126.06, 90, 90, 90
R / Rfree (%)	19.6 / 22.9

The structure of Concanavalin A Bound to A Dna Glycoconjugate, Man-Aaattt 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-Aaattt (pdb code 7mga). 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-Aaattt, PDB code: 7mga:
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-Aaattt


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-Aaattt within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:19.3 occ:1.00 O A:HOH496 2.2 23.5 1.0 O A:TYR12 2.3 22.5 1.0 O A:HOH458 2.3 16.4 1.0 OD2 A:ASP19 2.3 20.0 1.0 OD1 A:ASP10 2.4 21.6 1.0 OD1 A:ASN14 2.4 25.4 1.0 OD2 A:ASP10 2.4 18.6 1.0 CG A:ASP10 2.7 20.9 1.0 CG A:ASP19 3.4 25.4 1.0 C A:TYR12 3.5 21.1 1.0 CG A:ASN14 3.5 26.3 1.0 OD1 A:ASP19 3.9 25.2 1.0 N A:ASN14 4.0 22.8 1.0 MN A:MN301 4.1 25.3 1.0 CB A:ASN14 4.1 24.2 1.0 CB A:ASP10 4.2 22.4 1.0 O A:HOH486 4.3 18.3 1.0 CA A:TYR12 4.4 21.4 1.0 N A:PRO13 4.5 23.1 1.0 N A:TYR12 4.5 23.8 1.0 CA A:PRO13 4.6 23.0 1.0 CE1 A:HIS24 4.6 18.1 1.0 O A:ASP208 4.6 20.6 1.0 C A:PRO13 4.6 25.0 1.0 CB A:ASP19 4.6 26.6 1.0 ND2 A:ASN14 4.7 21.9 1.0 CB A:TYR12 4.7 23.7 1.0 CB A:ARG228 4.7 20.1 1.0 CA A:ASN14 4.7 23.3 1.0 OD1 A:ASP208 4.8 21.1 1.0 CA A:ARG228 4.8 19.8 1.0 O A:ARG228 4.8 21.7 1.0 NE2 A:HIS24 4.8 18.6 1.0

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


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-Aaattt within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca302 b:22.3 occ:1.00 O B:HOH460 2.3 24.1 1.0 O B:TYR12 2.3 21.8 1.0 OD2 B:ASP19 2.3 22.6 1.0 OD1 B:ASP10 2.3 25.5 1.0 O B:HOH459 2.4 18.1 1.0 OD1 B:ASN14 2.4 24.1 1.0 OD2 B:ASP10 2.4 20.5 1.0 CG B:ASP10 2.7 23.2 1.0 CG B:ASP19 3.4 27.9 1.0 CG B:ASN14 3.5 26.7 1.0 C B:TYR12 3.5 22.8 1.0 OD1 B:ASP19 3.9 24.6 1.0 N B:ASN14 4.0 27.8 1.0 MN B:MN301 4.1 27.8 1.0 CB B:ASN14 4.1 24.6 1.0 CB B:ASP10 4.2 25.7 1.0 O B:HOH447 4.4 19.4 1.0 CA B:TYR12 4.4 25.6 1.0 N B:TYR12 4.5 26.4 1.0 N B:PRO13 4.5 23.8 1.0 CA B:PRO13 4.6 24.4 1.0 O B:ASP208 4.6 20.3 1.0 CB B:TYR12 4.6 26.4 1.0 CE1 B:HIS24 4.6 19.2 1.0 ND2 B:ASN14 4.6 25.6 1.0 C B:PRO13 4.6 25.1 1.0 CB B:ASP19 4.7 28.0 1.0 CB B:ARG228 4.7 24.8 1.0 CA B:ASN14 4.7 25.6 1.0 OD1 B:ASP208 4.8 21.1 1.0 CA B:ARG228 4.8 22.9 1.0 O B:ARG228 4.8 25.8 1.0 NE2 B:HIS24 4.8 18.6 1.0 CD2 B:TYR12 5.0 31.1 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