Manganese 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:

Calcium

(Ca)

1 atom

The binding sites of Manganese 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 Manganese atom.
In total only one binding site of Manganese was determined in the Concanavalin A Crystallized in the Presence of Gal-Atat, PDB code: 7mg4:

Manganese 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 Manganese with other atoms in the Mn 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:Mn301 b:16.2 occ:1.00 OD2 A:ASP10 2.1 11.9 1.0 OE2 A:GLU8 2.1 14.4 1.0 O A:HOH417 2.2 14.5 1.0 OD1 A:ASP19 2.2 16.6 1.0 NE2 A:HIS24 2.3 13.9 1.0 O A:HOH438 2.4 14.7 1.0 CG A:ASP19 3.1 16.5 1.0 CG A:ASP10 3.1 12.3 1.0 CD A:GLU8 3.2 14.8 1.0 CE1 A:HIS24 3.2 15.1 1.0 CD2 A:HIS24 3.3 14.0 1.0 CB A:ASP10 3.5 12.7 1.0 OE1 A:GLU8 3.5 14.6 1.0 OD2 A:ASP19 3.6 17.3 1.0 O A:HOH521 3.9 14.6 1.0 OG A:SER34 4.0 15.9 1.0 CA A:CA302 4.1 13.8 1.0 CB A:ASP19 4.2 16.2 1.0 OD1 A:ASP10 4.3 12.0 1.0 O A:HOH513 4.3 25.3 1.0 ND1 A:HIS24 4.4 13.7 1.0 CG A:HIS24 4.4 14.7 1.0 CG A:GLU8 4.5 14.2 1.0 O A:VAL32 4.6 18.9 1.0 CA A:ASP19 4.6 17.3 1.0 CA A:ASP10 5.0 12.2 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