Manganese in PDB 7mg9: Concanavalin A Bound to Dna Glycoconjugates, Man-Tttt and Man-Aaaa

The structure of Concanavalin A Bound to Dna Glycoconjugates, Man-Tttt and Man-Aaaa, PDB code: 7mg9 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)	70.18 / 2.55
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	65.979, 70.18, 124.42, 90, 90, 90
R / Rfree (%)	25 / 31.4

The structure of Concanavalin A Bound to Dna Glycoconjugates, Man-Tttt and Man-Aaaa also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Manganese atom in the Concanavalin A Bound to Dna Glycoconjugates, Man-Tttt and Man-Aaaa (pdb code 7mg9). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Concanavalin A Bound to Dna Glycoconjugates, Man-Tttt and Man-Aaaa, PDB code: 7mg9:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Concanavalin A Bound to Dna Glycoconjugates, Man-Tttt and Man-Aaaa


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Concanavalin A Bound to Dna Glycoconjugates, Man-Tttt and Man-Aaaa within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:40.4 occ:1.00 OE2 A:GLU8 1.9 36.9 1.0 OD2 A:ASP10 2.0 32.3 1.0 OD1 A:ASP19 2.0 37.3 1.0 NE2 A:HIS24 2.1 30.1 1.0 CG A:ASP19 2.7 34.7 1.0 CE1 A:HIS24 2.9 28.1 1.0 CG A:ASP10 3.0 33.7 1.0 CD A:GLU8 3.1 35.2 1.0 OD2 A:ASP19 3.1 35.6 1.0 CD2 A:HIS24 3.3 28.4 1.0 CB A:ASP10 3.3 38.0 1.0 OE1 A:GLU8 3.7 33.5 1.0 CB A:ASP19 3.9 35.3 1.0 OG A:SER34 4.0 27.5 1.0 CA A:CA302 4.1 35.2 1.0 ND1 A:HIS24 4.1 26.6 1.0 OD1 A:ASP10 4.2 35.9 1.0 O A:HOH452 4.2 37.3 1.0 CG A:GLU8 4.3 33.9 1.0 CG A:HIS24 4.3 27.5 1.0 CA A:ASP19 4.5 36.2 1.0 O A:VAL32 4.6 26.5 1.0 CA A:ASP10 4.9 35.5 1.0

Manganese binding site 2 out of 2 in the Concanavalin A Bound to Dna Glycoconjugates, Man-Tttt and Man-Aaaa


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Concanavalin A Bound to Dna Glycoconjugates, Man-Tttt and Man-Aaaa within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn301 b:39.1 occ:1.00 OE2 B:GLU8 1.9 30.5 1.0 OD2 B:ASP10 2.0 32.1 1.0 OD1 B:ASP19 2.0 42.3 1.0 NE2 B:HIS24 2.1 26.8 1.0 O B:HOH407 2.6 15.4 1.0 CG B:ASP19 2.7 39.9 1.0 CE1 B:HIS24 2.9 25.4 1.0 CG B:ASP10 3.0 33.5 1.0 CD B:GLU8 3.0 28.2 1.0 OD2 B:ASP19 3.1 37.7 1.0 CD2 B:HIS24 3.2 27.3 1.0 CB B:ASP10 3.3 35.4 1.0 OE1 B:GLU8 3.6 26.9 1.0 O B:HOH419 3.7 28.9 1.0 CB B:ASP19 3.9 39.5 1.0 OG B:SER34 4.0 37.9 1.0 ND1 B:HIS24 4.1 24.9 1.0 CA B:CA302 4.1 34.5 1.0 OD1 B:ASP10 4.2 34.6 1.0 CG B:HIS24 4.2 25.9 1.0 CG B:GLU8 4.2 29.2 1.0 CA B:ASP19 4.4 40.8 1.0 O B:VAL32 4.7 34.3 1.0 CA B:ASP10 4.8 33.6 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