Manganese in PDB 7mg7: Concanavalin A Bound to A Dna Glycoconjugate, Man-Gtac

The structure of Concanavalin A Bound to A Dna Glycoconjugate, Man-Gtac, PDB code: 7mg7 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)	62.62 / 1.75
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	65.869, 70.4, 125.09, 90, 90, 90
R / Rfree (%)	18.6 / 21.5

The structure of Concanavalin A Bound to A Dna Glycoconjugate, Man-Gtac also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Manganese atom in the Concanavalin A Bound to A Dna Glycoconjugate, Man-Gtac (pdb code 7mg7). 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 A Dna Glycoconjugate, Man-Gtac, PDB code: 7mg7:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Concanavalin A Bound to A Dna Glycoconjugate, Man-Gtac


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 A Dna Glycoconjugate, Man-Gtac within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:25.0 occ:1.00 OD2 A:ASP10 2.0 19.2 1.0 OE2 A:GLU8 2.1 21.2 1.0 OD1 A:ASP19 2.1 23.9 1.0 NE2 A:HIS24 2.1 22.5 1.0 O A:HOH462 2.2 23.2 1.0 O A:HOH420 2.3 23.8 1.0 CG A:ASP10 3.0 19.1 1.0 CG A:ASP19 3.1 25.2 1.0 CE1 A:HIS24 3.1 22.1 1.0 CD A:GLU8 3.1 22.9 1.0 CD2 A:HIS24 3.2 20.6 1.0 CB A:ASP10 3.5 18.9 1.0 OE1 A:GLU8 3.6 19.7 1.0 OD2 A:ASP19 3.6 25.4 1.0 O A:HOH490 3.9 21.9 1.0 CA A:CA302 4.1 21.9 1.0 OD1 A:ASP10 4.2 21.2 1.0 OG A:SER34 4.2 21.6 1.0 ND1 A:HIS24 4.2 21.7 1.0 CB A:ASP19 4.2 24.4 1.0 CG A:HIS24 4.3 21.8 1.0 CG A:GLU8 4.5 20.1 1.0 O A:HOH553 4.5 45.5 1.0 O A:VAL32 4.6 24.2 1.0 CA A:ASP19 4.6 25.2 1.0

Manganese binding site 2 out of 2 in the Concanavalin A Bound to A Dna Glycoconjugate, Man-Gtac


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 A Dna Glycoconjugate, Man-Gtac within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn301 b:27.3 occ:1.00 O B:HOH446 2.0 24.9 1.0 OD2 B:ASP10 2.1 20.9 1.0 OD1 B:ASP19 2.1 22.6 1.0 OE2 B:GLU8 2.1 21.7 1.0 O B:HOH425 2.1 25.8 1.0 NE2 B:HIS24 2.2 26.5 1.0 CG B:ASP19 3.1 28.2 1.0 CG B:ASP10 3.1 17.4 1.0 CD B:GLU8 3.1 24.0 1.0 CE1 B:HIS24 3.1 23.3 1.0 CD2 B:HIS24 3.2 26.5 1.0 OE1 B:GLU8 3.5 25.1 1.0 CB B:ASP10 3.5 20.1 1.0 OD2 B:ASP19 3.6 26.9 1.0 O B:HOH500 3.9 23.0 1.0 OG B:SER34 4.1 25.5 1.0 OD1 B:ASP10 4.1 21.7 1.0 CA B:CA302 4.2 23.4 1.0 CB B:ASP19 4.2 27.0 1.0 ND1 B:HIS24 4.3 26.3 1.0 CG B:HIS24 4.3 25.3 1.0 O B:HOH544 4.5 37.2 1.0 CG B:GLU8 4.5 21.0 1.0 CA B:ASP19 4.6 28.6 1.0 O B:VAL32 4.6 23.7 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