Manganese in PDB 7mg5: Concanavalin A Bound to A Dna Glycoconjugate, Man-Atat

The structure of Concanavalin A Bound to A Dna Glycoconjugate, Man-Atat, PDB code: 7mg5 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)	63.01 / 2.10
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	65.689, 70.7, 125.87, 90, 90, 90
R / Rfree (%)	20.1 / 24.5

The structure of Concanavalin A Bound to A Dna Glycoconjugate, Man-Atat 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-Atat (pdb code 7mg5). 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-Atat, PDB code: 7mg5:
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-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 Bound to A Dna Glycoconjugate, Man-Atat within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:34.8 occ:1.00 OD2 A:ASP10 2.0 24.4 1.0 OE2 A:GLU8 2.0 32.0 1.0 OD1 A:ASP19 2.1 35.2 1.0 NE2 A:HIS24 2.1 31.2 1.0 O A:HOH415 2.2 29.1 1.0 O A:HOH421 2.2 26.9 1.0 CG A:ASP19 3.0 34.9 1.0 CD A:GLU8 3.1 27.3 1.0 CG A:ASP10 3.1 29.5 1.0 CE1 A:HIS24 3.1 32.2 1.0 CD2 A:HIS24 3.2 32.2 1.0 OE1 A:GLU8 3.4 23.8 1.0 CB A:ASP10 3.5 30.3 1.0 OD2 A:ASP19 3.5 31.2 1.0 O A:HOH436 4.0 28.3 1.0 O A:HOH464 4.0 44.7 1.0 CA A:CA302 4.1 30.6 1.0 OG A:SER34 4.2 30.1 1.0 OD1 A:ASP10 4.2 29.7 1.0 ND1 A:HIS24 4.2 33.0 1.0 CB A:ASP19 4.2 36.1 1.0 CG A:HIS24 4.3 29.8 1.0 CG A:GLU8 4.4 29.4 1.0 O A:VAL32 4.5 30.4 1.0 CA A:ASP19 4.6 35.3 1.0

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


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-Atat within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn301 b:36.1 occ:1.00 O B:HOH423 2.0 32.1 1.0 OD2 B:ASP10 2.0 25.2 1.0 OD1 B:ASP19 2.1 32.9 1.0 OE2 B:GLU8 2.1 29.3 1.0 O B:HOH426 2.1 29.0 1.0 NE2 B:HIS24 2.1 36.4 1.0 CG B:ASP19 3.0 32.7 1.0 CG B:ASP10 3.0 29.0 1.0 CE1 B:HIS24 3.0 37.4 1.0 CD B:GLU8 3.1 30.3 1.0 CD2 B:HIS24 3.2 38.7 1.0 OD2 B:ASP19 3.4 33.0 1.0 OE1 B:GLU8 3.4 28.9 1.0 CB B:ASP10 3.4 31.3 1.0 O B:HOH450 3.7 31.6 1.0 CA B:CA302 4.1 31.2 1.0 OD1 B:ASP10 4.1 29.4 1.0 ND1 B:HIS24 4.2 33.2 1.0 CB B:ASP19 4.2 35.7 1.0 CG B:HIS24 4.3 33.6 1.0 O B:HOH505 4.3 50.8 1.0 OG B:SER34 4.3 31.2 1.0 CG B:GLU8 4.5 26.6 1.0 O B:VAL32 4.6 26.6 1.0 CA B:ASP19 4.6 39.3 1.0 CA B:ASP10 5.0 30.3 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