Manganese in PDB 1qgl: Room Temperature Structure of Concanavalin A Complexed to Bivalent Ligand

The structure of Room Temperature Structure of Concanavalin A Complexed to Bivalent Ligand, PDB code: 1qgl was solved by J.H.Naismith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.00 / 2.66
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	99.100, 127.400, 118.900, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 20

The structure of Room Temperature Structure of Concanavalin A Complexed to Bivalent Ligand also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Manganese atom in the Room Temperature Structure of Concanavalin A Complexed to Bivalent Ligand (pdb code 1qgl). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Room Temperature Structure of Concanavalin A Complexed to Bivalent Ligand, PDB code: 1qgl:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Room Temperature Structure of Concanavalin A Complexed to Bivalent Ligand


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Room Temperature Structure of Concanavalin A Complexed to Bivalent Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn239 b:14.0 occ:1.00 O A:HOH245 2.2 14.3 1.0 OE2 A:GLU8 2.2 18.3 1.0 OD2 A:ASP10 2.2 15.1 1.0 NE2 A:HIS24 2.2 14.0 1.0 OD1 A:ASP19 2.2 19.8 1.0 O A:HOH244 2.4 9.3 1.0 CE1 A:HIS24 3.1 12.4 1.0 CG A:ASP19 3.2 18.1 1.0 CG A:ASP10 3.2 16.9 1.0 CD2 A:HIS24 3.3 13.4 1.0 CD A:GLU8 3.3 19.2 1.0 CB A:ASP10 3.5 17.0 1.0 OD2 A:ASP19 3.6 18.0 1.0 OE1 A:GLU8 3.7 17.6 1.0 O A:HOH242 3.9 11.4 1.0 OG A:SER34 4.1 17.7 1.0 CA A:CA240 4.3 16.6 1.0 ND1 A:HIS24 4.3 14.7 1.0 OD1 A:ASP10 4.3 17.4 1.0 CB A:ASP19 4.4 18.4 1.0 CG A:HIS24 4.4 15.0 1.0 CG A:GLU8 4.6 19.0 1.0 O A:VAL32 4.6 26.6 1.0 CA A:ASP19 4.7 21.4 1.0 CD A:PRO20 5.0 25.6 1.0

Manganese binding site 2 out of 2 in the Room Temperature Structure of Concanavalin A Complexed to Bivalent Ligand


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Room Temperature Structure of Concanavalin A Complexed to Bivalent Ligand within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn239 b:25.8 occ:1.00 O B:HOH246 2.2 24.0 1.0 O B:HOH245 2.2 18.1 1.0 NE2 B:HIS24 2.2 21.2 1.0 OE2 B:GLU8 2.2 24.7 1.0 OD1 B:ASP19 2.2 31.8 1.0 OD2 B:ASP10 2.3 24.5 1.0 CE1 B:HIS24 3.0 22.0 1.0 CG B:ASP19 3.1 29.2 1.0 CG B:ASP10 3.2 24.8 1.0 CD2 B:HIS24 3.3 22.5 1.0 CD B:GLU8 3.3 23.1 1.0 CB B:ASP10 3.5 23.8 1.0 OD2 B:ASP19 3.5 28.2 1.0 OE1 B:GLU8 3.7 23.6 1.0 O B:HOH243 3.8 19.7 1.0 CA B:CA240 4.2 25.4 1.0 ND1 B:HIS24 4.2 23.2 1.0 OG B:SER34 4.2 28.4 1.0 CB B:ASP19 4.3 28.8 1.0 OD1 B:ASP10 4.3 26.0 1.0 CG B:HIS24 4.3 21.9 1.0 CG B:GLU8 4.6 22.5 1.0 CA B:ASP19 4.6 30.1 1.0 O B:VAL32 4.7 32.0 1.0 CD B:PRO20 5.0 31.7 1.0

S.M.Dimick, S.C.Powell, S.A.Mcmahon, D.N.Moothoo, J.H.Naismith, E.J.Toone. On the Meaning of Affinity: Cluster Glycoside Effects and Concanavalin A J.Am.Chem.Soc. V. 121 10286 1999.
ISSN: ISSN 0002-7863