Calcium in PDB 7mg3: Concanavalin A Crystallized in the Presence of H2N-Atat

The structure of Concanavalin A Crystallized in the Presence of H2N-Atat, PDB code: 7mg3 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)	51.02 / 1.60
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	62.07, 86.39, 89.32, 90, 90, 90
R / Rfree (%)	18.1 / 21.3

The structure of Concanavalin A Crystallized in the Presence of H2N-Atat also contains other interesting chemical elements:

Manganese

(Mn)

1 atom

The binding sites of Calcium atom in the Concanavalin A Crystallized in the Presence of H2N-Atat (pdb code 7mg3). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Concanavalin A Crystallized in the Presence of H2N-Atat, PDB code: 7mg3:

Calcium binding site 1 out of 1 in the Concanavalin A Crystallized in the Presence of H2N-Atat


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Concanavalin A Crystallized in the Presence of H2N-Atat within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:11.5 occ:1.00 OD1 A:ASN14 2.3 14.4 1.0 OD2 A:ASP19 2.3 11.9 1.0 O A:HOH502 2.4 12.9 1.0 O A:TYR12 2.4 14.2 1.0 OD1 A:ASP10 2.4 13.1 1.0 O A:HOH484 2.5 13.8 1.0 OD2 A:ASP10 2.5 12.1 1.0 CG A:ASP10 2.8 12.0 1.0 CG A:ASN14 3.5 15.3 1.0 CG A:ASP19 3.5 12.4 1.0 C A:TYR12 3.6 12.6 1.0 OD1 A:ASP19 4.0 11.6 1.0 N A:ASN14 4.0 13.5 1.0 CB A:ASN14 4.1 14.6 1.0 MN A:MN301 4.2 14.0 1.0 CB A:ASP10 4.3 11.3 1.0 CA A:TYR12 4.4 12.4 1.0 N A:TYR12 4.5 11.9 1.0 ND2 A:ASN14 4.5 13.7 1.0 CB A:TYR12 4.6 12.0 1.0 N A:PRO13 4.6 14.2 1.0 O A:HOH444 4.6 12.2 1.0 CE1 A:HIS24 4.6 12.5 1.0 CA A:PRO13 4.6 16.1 1.0 O A:ASP208 4.7 11.4 1.0 C A:PRO13 4.7 16.1 1.0 CA A:ASN14 4.7 14.4 1.0 CB A:ASP19 4.7 13.0 1.0 OD1 A:ASP208 4.8 16.1 1.0 CB A:ARG228 4.9 13.2 1.0 O A:ARG228 4.9 12.9 1.0 CA A:ARG228 4.9 12.0 1.0 NE2 A:HIS24 4.9 11.2 1.0

B.E.Partridge, P.H.Winegar, Z.Han, C.A.Mirkin. Redefining Protein Interfaces Within Protein Single Crystals with Dna J.Am.Chem.Soc. 2021.
ISSN: ESSN 1520-5126
DOI: 10.1021/JACS.1C04191