Manganese in PDB 7mg6: Concanavalin A Bound to A Dna Glycoconjugate, Man-Agct

The structure of Concanavalin A Bound to A Dna Glycoconjugate, Man-Agct, PDB code: 7mg6 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)	70.89 / 1.70
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	65.729, 70.89, 125.839, 90, 90, 90
R / Rfree (%)	17.7 / 20.7

The structure of Concanavalin A Bound to A Dna Glycoconjugate, Man-Agct 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-Agct (pdb code 7mg6). 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-Agct, PDB code: 7mg6:
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-Agct


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-Agct within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:20.8 occ:1.00 OE2 A:GLU8 2.1 18.6 1.0 OD1 A:ASP19 2.1 20.6 1.0 NE2 A:HIS24 2.2 22.4 1.0 OD2 A:ASP10 2.2 18.8 1.0 O A:HOH440 2.2 22.4 1.0 O A:HOH428 2.3 22.1 1.0 CG A:ASP19 3.1 21.6 1.0 CD A:GLU8 3.1 20.2 1.0 CE1 A:HIS24 3.1 21.7 1.0 CG A:ASP10 3.2 16.4 1.0 CD2 A:HIS24 3.2 19.9 1.0 OE1 A:GLU8 3.5 19.4 1.0 OD2 A:ASP19 3.6 21.9 1.0 CB A:ASP10 3.6 18.5 1.0 O A:HOH498 3.9 19.5 1.0 O A:HOH485 4.1 33.4 1.0 CA A:CA302 4.1 21.0 1.0 OG A:SER34 4.2 20.5 1.0 CB A:ASP19 4.3 23.3 1.0 ND1 A:HIS24 4.3 22.4 1.0 OD1 A:ASP10 4.3 19.8 1.0 CG A:HIS24 4.4 19.8 1.0 CG A:GLU8 4.5 19.6 1.0 O A:VAL32 4.6 22.9 1.0 CA A:ASP19 4.7 23.6 1.0

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


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-Agct within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn301 b:22.8 occ:1.00 OD2 B:ASP10 2.1 20.4 1.0 O B:HOH467 2.1 25.8 1.0 OE2 B:GLU8 2.1 18.8 1.0 OD1 B:ASP19 2.1 20.8 1.0 NE2 B:HIS24 2.2 23.2 1.0 O B:HOH425 2.3 22.6 1.0 CG B:ASP10 3.1 16.6 1.0 CG B:ASP19 3.1 24.3 1.0 CE1 B:HIS24 3.1 23.7 1.0 CD B:GLU8 3.2 21.7 1.0 CD2 B:HIS24 3.2 23.2 1.0 CB B:ASP10 3.5 18.6 1.0 OE1 B:GLU8 3.5 21.3 1.0 OD2 B:ASP19 3.5 23.7 1.0 O B:HOH494 3.9 22.2 1.0 CA B:CA302 4.1 22.1 1.0 OD1 B:ASP10 4.1 21.4 1.0 OG B:SER34 4.2 23.3 1.0 CB B:ASP19 4.2 24.6 1.0 O B:HOH438 4.3 40.1 1.0 ND1 B:HIS24 4.3 24.2 1.0 CG B:HIS24 4.4 23.0 1.0 O B:HOH549 4.4 31.8 1.0 CG B:GLU8 4.5 19.9 1.0 O B:VAL32 4.6 21.1 1.0 CA B:ASP19 4.6 27.2 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