Manganese in PDB 1bxh: Concanavalin A Complexed to Methyl ALPHA1-2 Mannobioside

The structure of Concanavalin A Complexed to Methyl ALPHA1-2 Mannobioside, PDB code: 1bxh was solved by D.N.Moothoo, B.Canaan, R.A.Field, J.H.Naismith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	119.700, 119.700, 68.900, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 23.8

The structure of Concanavalin A Complexed to Methyl ALPHA1-2 Mannobioside also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Manganese atom in the Concanavalin A Complexed to Methyl ALPHA1-2 Mannobioside (pdb code 1bxh). 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 Complexed to Methyl ALPHA1-2 Mannobioside, PDB code: 1bxh:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Concanavalin A Complexed to Methyl ALPHA1-2 Mannobioside


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Concanavalin A Complexed to Methyl ALPHA1-2 Mannobioside within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn238 b:33.9 occ:1.00 O A:HOH245 1.8 7.4 1.0 OD1 A:ASP19 2.1 30.5 1.0 OE2 A:GLU8 2.2 26.5 1.0 NE2 A:HIS24 2.2 22.8 1.0 OD2 A:ASP10 2.3 17.0 1.0 O A:HOH244 2.4 2.0 1.0 CE1 A:HIS24 3.0 21.0 1.0 CG A:ASP19 3.1 31.3 1.0 CG A:ASP10 3.2 19.1 1.0 CD A:GLU8 3.3 24.9 1.0 CD2 A:HIS24 3.3 22.3 1.0 CB A:ASP10 3.5 18.3 1.0 OD2 A:ASP19 3.6 30.2 1.0 OE1 A:GLU8 3.8 26.0 1.0 O A:HOH246 3.9 5.4 1.0 OG A:SER34 4.1 18.1 1.0 ND1 A:HIS24 4.2 21.2 1.0 CA A:CA239 4.2 15.6 1.0 OD1 A:ASP10 4.3 17.9 1.0 CB A:ASP19 4.3 32.1 1.0 CG A:HIS24 4.4 22.0 1.0 CG A:GLU8 4.5 22.5 1.0 CA A:ASP19 4.7 33.1 1.0 O A:VAL32 4.7 22.4 1.0 CA A:ASP10 5.0 19.2 1.0

Manganese binding site 2 out of 4 in the Concanavalin A Complexed to Methyl ALPHA1-2 Mannobioside


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Concanavalin A Complexed to Methyl ALPHA1-2 Mannobioside within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn238 b:34.6 occ:1.00 O B:HOH243 2.0 14.2 1.0 OD2 B:ASP10 2.1 22.4 1.0 OD1 B:ASP19 2.1 37.6 1.0 OE2 B:GLU8 2.2 23.6 1.0 NE2 B:HIS24 2.4 22.6 1.0 O B:HOH265 2.4 15.3 1.0 CG B:ASP19 3.0 35.9 1.0 CG B:ASP10 3.1 22.7 1.0 CE1 B:HIS24 3.2 23.3 1.0 CD B:GLU8 3.3 23.5 1.0 OD2 B:ASP19 3.5 35.7 1.0 CB B:ASP10 3.5 20.8 1.0 CD2 B:HIS24 3.5 22.4 1.0 O B:HOH242 3.7 25.2 1.0 OE1 B:GLU8 3.8 24.3 1.0 CA B:CA239 4.0 24.8 1.0 OD1 B:ASP10 4.2 22.8 1.0 CB B:ASP19 4.2 35.8 1.0 OG B:SER34 4.3 26.8 1.0 ND1 B:HIS24 4.3 24.2 1.0 CG B:HIS24 4.5 24.2 1.0 CG B:GLU8 4.6 22.3 1.0 O B:VAL32 4.6 26.3 1.0 CA B:ASP19 4.6 36.1 1.0 CA B:ASP10 5.0 21.6 1.0

Manganese binding site 3 out of 4 in the Concanavalin A Complexed to Methyl ALPHA1-2 Mannobioside


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Concanavalin A Complexed to Methyl ALPHA1-2 Mannobioside within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn238 b:49.5 occ:1.00 O C:HOH244 2.0 30.2 1.0 OD2 C:ASP10 2.0 28.6 1.0 O C:HOH243 2.2 16.5 1.0 OE2 C:GLU8 2.2 25.7 1.0 NE2 C:HIS24 2.2 29.6 1.0 OD1 C:ASP19 2.3 41.0 1.0 CG C:ASP10 2.9 26.8 1.0 CE1 C:HIS24 3.0 28.3 1.0 CG C:ASP19 3.1 39.5 1.0 CB C:ASP10 3.2 24.8 1.0 CD C:GLU8 3.3 24.6 1.0 CD2 C:HIS24 3.3 28.6 1.0 OD2 C:ASP19 3.5 38.6 1.0 OE1 C:GLU8 3.8 23.8 1.0 O C:HOH246 3.9 18.5 1.0 OD1 C:ASP10 4.0 26.1 1.0 CA C:CA239 4.1 33.2 1.0 ND1 C:HIS24 4.1 28.1 1.0 CB C:ASP19 4.3 38.6 1.0 OG C:SER34 4.3 31.1 1.0 CG C:HIS24 4.3 28.8 1.0 CG C:GLU8 4.5 23.5 1.0 CA C:ASP19 4.7 39.1 1.0 CA C:ASP10 4.7 24.8 1.0 O C:VAL32 4.9 30.6 1.0

Manganese binding site 4 out of 4 in the Concanavalin A Complexed to Methyl ALPHA1-2 Mannobioside


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Concanavalin A Complexed to Methyl ALPHA1-2 Mannobioside within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn238 b:46.9 occ:1.00 O D:HOH244 1.9 11.4 1.0 O D:HOH245 2.0 17.4 1.0 OD1 D:ASP19 2.1 40.6 1.0 OE2 D:GLU8 2.1 28.8 1.0 OD2 D:ASP10 2.1 27.2 1.0 NE2 D:HIS24 2.3 26.2 1.0 CG D:ASP19 3.0 39.2 1.0 CG D:ASP10 3.1 26.6 1.0 CE1 D:HIS24 3.1 25.3 1.0 CD D:GLU8 3.2 27.2 1.0 CD2 D:HIS24 3.4 26.6 1.0 CB D:ASP10 3.4 25.7 1.0 OD2 D:ASP19 3.5 35.2 1.0 OE1 D:GLU8 3.7 24.9 1.0 OG D:SER34 4.1 26.4 1.0 OD1 D:ASP10 4.2 26.3 1.0 CB D:ASP19 4.2 38.4 1.0 ND1 D:HIS24 4.3 26.2 1.0 CA D:CA239 4.3 34.2 1.0 CG D:HIS24 4.4 26.4 1.0 CG D:GLU8 4.5 26.3 1.0 O D:HOH246 4.5 26.1 1.0 CA D:ASP19 4.6 38.1 1.0 O D:VAL32 4.7 28.0 1.0 CA D:ASP10 4.9 26.1 1.0

D.N.Moothoo, B.Canan, R.A.Field, J.H.Naismith. Man ALPHA1-2 Man Alpha-Ome-Concanavalin A Complex Reveals A Balance of Forces Involved in Carbohydrate Recognition. Glycobiology V. 9 539 1999.
ISSN: ISSN 0959-6658
PubMed: 10336986
DOI: 10.1093/GLYCOB/9.6.539