Manganese in PDB 7mgb: Concanavalin A Bound to A Dna Glycoconjugate, A(Man-T)at

The structure of Concanavalin A Bound to A Dna Glycoconjugate, A(Man-T)at, PDB code: 7mgb 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)	84.79 / 2.45
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	68.009, 117.48, 122.49, 90, 90, 90
R / Rfree (%)	21.3 / 26.2

The structure of Concanavalin A Bound to A Dna Glycoconjugate, A(Man-T)at also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Manganese atom in the Concanavalin A Bound to A Dna Glycoconjugate, A(Man-T)at (pdb code 7mgb). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Concanavalin A Bound to A Dna Glycoconjugate, A(Man-T)at, PDB code: 7mgb:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Concanavalin A Bound to A Dna Glycoconjugate, A(Man-T)at


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, A(Man-T)at within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn302 b:37.6 occ:1.00 OD1 A:ASP19 2.0 38.9 1.0 OD2 A:ASP10 2.1 24.6 1.0 O A:HOH413 2.2 27.1 1.0 NE2 A:HIS24 2.2 29.4 1.0 OE2 A:GLU8 2.3 34.3 1.0 CG A:ASP19 2.9 42.6 1.0 CE1 A:HIS24 3.2 31.7 1.0 CG A:ASP10 3.2 29.6 1.0 OD2 A:ASP19 3.2 38.6 1.0 CD2 A:HIS24 3.2 32.0 1.0 CD A:GLU8 3.3 29.9 1.0 CB A:ASP10 3.6 29.2 1.0 OE1 A:GLU8 3.6 28.7 1.0 O A:HOH406 3.8 17.7 1.0 OG A:SER34 4.0 32.3 1.0 CB A:ASP19 4.1 45.9 1.0 CA A:CA303 4.2 33.8 1.0 OD1 A:ASP10 4.3 27.8 1.0 ND1 A:HIS24 4.3 31.9 1.0 CG A:HIS24 4.4 29.5 1.0 O A:VAL32 4.6 36.6 1.0 CA A:ASP19 4.7 45.6 1.0 CG A:GLU8 4.7 32.1 1.0

Manganese binding site 2 out of 4 in the Concanavalin A Bound to A Dna Glycoconjugate, A(Man-T)at


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, A(Man-T)at within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn302 b:39.0 occ:1.00 OD2 B:ASP10 1.9 27.5 1.0 O B:HOH401 2.1 28.2 1.0 OD1 B:ASP19 2.1 44.4 1.0 NE2 B:HIS24 2.2 26.4 1.0 OE2 B:GLU8 2.3 28.9 1.0 O B:HOH404 2.4 24.5 1.0 CG B:ASP19 2.9 46.1 1.0 CG B:ASP10 3.0 31.1 1.0 CE1 B:HIS24 3.1 29.9 1.0 CD B:GLU8 3.3 34.6 1.0 OD2 B:ASP19 3.3 34.2 1.0 CD2 B:HIS24 3.3 28.8 1.0 CB B:ASP10 3.5 31.1 1.0 OE1 B:GLU8 3.6 33.4 1.0 O B:HOH409 3.6 25.6 1.0 CA B:CA303 4.0 37.6 1.0 OD1 B:ASP10 4.1 38.4 1.0 OG B:SER34 4.2 35.2 1.0 CB B:ASP19 4.2 48.8 1.0 ND1 B:HIS24 4.3 30.2 1.0 CG B:HIS24 4.4 30.4 1.0 CG B:GLU8 4.6 36.3 1.0 CA B:ASP19 4.7 46.0 1.0 O B:VAL32 4.7 31.8 1.0

Manganese binding site 3 out of 4 in the Concanavalin A Bound to A Dna Glycoconjugate, A(Man-T)at


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Concanavalin A Bound to A Dna Glycoconjugate, A(Man-T)at within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn302 b:37.5 occ:1.00 O C:HOH407 2.0 32.6 1.0 OD2 C:ASP10 2.1 32.3 1.0 OD1 C:ASP19 2.2 39.2 1.0 OE2 C:GLU8 2.2 33.4 1.0 NE2 C:HIS24 2.4 26.8 1.0 CG C:ASP19 3.0 39.0 1.0 CG C:ASP10 3.2 34.3 1.0 CD C:GLU8 3.2 30.3 1.0 CE1 C:HIS24 3.3 27.6 1.0 CD2 C:HIS24 3.4 27.9 1.0 OD2 C:ASP19 3.4 35.6 1.0 OE1 C:GLU8 3.4 35.6 1.0 CB C:ASP10 3.6 33.8 1.0 O C:HOH402 3.9 27.7 1.0 OG C:SER34 4.1 45.2 1.0 CA C:CA303 4.1 35.5 1.0 OD1 C:ASP10 4.2 30.9 1.0 CB C:ASP19 4.3 40.9 1.0 ND1 C:HIS24 4.5 28.3 1.0 O C:VAL32 4.5 37.2 1.0 CG C:HIS24 4.5 28.3 1.0 CG C:GLU8 4.5 31.3 1.0 CA C:ASP19 4.8 40.0 1.0

Manganese binding site 4 out of 4 in the Concanavalin A Bound to A Dna Glycoconjugate, A(Man-T)at


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Concanavalin A Bound to A Dna Glycoconjugate, A(Man-T)at within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn302 b:40.8 occ:1.00 O D:HOH408 2.1 20.0 1.0 OD1 D:ASP19 2.1 49.7 1.0 OD2 D:ASP10 2.1 33.6 1.0 OE2 D:GLU8 2.2 32.4 1.0 NE2 D:HIS24 2.2 26.7 1.0 CG D:ASP19 3.0 46.2 1.0 CE1 D:HIS24 3.2 31.2 1.0 CG D:ASP10 3.2 34.4 1.0 CD2 D:HIS24 3.2 25.5 1.0 CD D:GLU8 3.3 34.1 1.0 OD2 D:ASP19 3.4 39.3 1.0 OE1 D:GLU8 3.6 37.8 1.0 CB D:ASP10 3.6 34.6 1.0 O D:HOH404 4.0 22.7 1.0 OG D:SER34 4.0 42.7 1.0 CB D:ASP19 4.2 46.9 1.0 CA D:CA303 4.3 30.0 1.0 OD1 D:ASP10 4.3 33.7 1.0 ND1 D:HIS24 4.3 30.3 1.0 CG D:HIS24 4.4 26.9 1.0 CG D:GLU8 4.6 31.6 1.0 O D:VAL32 4.6 37.8 1.0 CA D:ASP19 4.6 41.9 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