Calcium in PDB 7mg4: Concanavalin A Crystallized in the Presence of Gal-Atat

The structure of Concanavalin A Crystallized in the Presence of Gal-Atat, PDB code: 7mg4 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)	61.93 / 2.00
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	61.63, 86.03, 89.23, 90, 90, 90
R / Rfree (%)	17.9 / 23.7

The structure of Concanavalin A Crystallized in the Presence of Gal-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 Gal-Atat (pdb code 7mg4). 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 Gal-Atat, PDB code: 7mg4:

Calcium binding site 1 out of 1 in the Concanavalin A Crystallized in the Presence of Gal-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 Gal-Atat within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:13.8 occ:1.00 OD1 A:ASP10 2.4 12.0 1.0 OD2 A:ASP19 2.4 17.3 1.0 O A:HOH521 2.4 14.6 1.0 OD1 A:ASN14 2.4 17.9 1.0 O A:HOH470 2.4 13.4 1.0 O A:TYR12 2.4 13.4 1.0 OD2 A:ASP10 2.4 11.9 1.0 CG A:ASP10 2.7 12.3 1.0 CG A:ASP19 3.4 16.5 1.0 CG A:ASN14 3.5 19.2 1.0 C A:TYR12 3.6 14.6 1.0 OD1 A:ASP19 3.9 16.6 1.0 N A:ASN14 3.9 18.4 1.0 MN A:MN301 4.1 16.2 1.0 CB A:ASN14 4.2 18.7 1.0 CB A:ASP10 4.2 12.7 1.0 CA A:TYR12 4.5 14.2 1.0 N A:TYR12 4.5 13.6 1.0 O A:HOH438 4.5 14.7 1.0 N A:PRO13 4.6 17.0 1.0 CA A:PRO13 4.6 18.9 1.0 ND2 A:ASN14 4.6 19.5 1.0 CE1 A:HIS24 4.6 15.1 1.0 C A:PRO13 4.6 18.8 1.0 CB A:TYR12 4.7 15.2 1.0 O A:ASP208 4.7 14.2 1.0 CB A:ASP19 4.7 16.2 1.0 CA A:ASN14 4.7 18.2 1.0 OD1 A:ASP208 4.8 20.7 1.0 CB A:ARG228 4.8 18.4 1.0 CA A:ARG228 4.9 16.3 1.0 O A:ARG228 4.9 16.8 1.0 NE2 A:HIS24 5.0 13.9 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