Calcium in PDB 7mg2: Concanavalin A Crystallized in the Presence of Man-8

The structure of Concanavalin A Crystallized in the Presence of Man-8, PDB code: 7mg2 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)	62.06 / 1.80
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	61.42, 86.13, 89.5, 90, 90, 90
R / Rfree (%)	18.4 / 23

The structure of Concanavalin A Crystallized in the Presence of Man-8 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 Man-8 (pdb code 7mg2). 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 Man-8, PDB code: 7mg2:

Calcium binding site 1 out of 1 in the Concanavalin A Crystallized in the Presence of Man-8


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 Man-8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:11.6 occ:1.00 OD1 A:ASP10 2.4 9.5 1.0 OD2 A:ASP19 2.4 13.2 1.0 OD1 A:ASN14 2.4 15.5 1.0 O A:HOH495 2.4 13.0 1.0 O A:TYR12 2.5 13.2 1.0 O A:HOH446 2.5 11.2 1.0 OD2 A:ASP10 2.6 9.1 1.0 CG A:ASP10 2.8 10.1 1.0 CG A:ASP19 3.5 13.9 1.0 CG A:ASN14 3.5 14.1 1.0 C A:TYR12 3.7 12.4 1.0 OD1 A:ASP19 4.0 12.2 1.0 N A:ASN14 4.0 14.0 1.0 CB A:ASN14 4.2 14.1 1.0 MN A:MN301 4.2 12.9 1.0 CB A:ASP10 4.3 10.3 1.0 CA A:TYR12 4.4 12.2 1.0 N A:TYR12 4.5 12.0 1.0 CE1 A:HIS24 4.5 12.2 1.0 O A:HOH485 4.6 13.6 1.0 ND2 A:ASN14 4.6 13.3 1.0 N A:PRO13 4.6 14.1 1.0 CB A:TYR12 4.6 11.8 1.0 CA A:PRO13 4.7 14.9 1.0 C A:PRO13 4.7 15.7 1.0 O A:ASP208 4.7 13.2 1.0 CB A:ASP19 4.7 13.1 1.0 CA A:ASN14 4.8 14.0 1.0 CB A:ARG228 4.8 13.7 1.0 O A:ARG228 4.8 13.4 1.0 OD1 A:ASP208 4.8 19.6 1.0 CA A:ARG228 4.8 13.3 1.0 NE2 A:HIS24 4.9 11.5 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