Manganese in PDB 1gic: Concanavalin A Complexed with Methyl Alpha-D-Glucopyranoside

The structure of Concanavalin A Complexed with Methyl Alpha-D-Glucopyranoside, PDB code: 1gic was solved by G.M.Bradbrook, T.Gleichmann, S.J.Harrop, J.R.Helliwell, J.Habash, A.J.Kalb(Gilboa), L.Tong, T.C.M.Wan, J.Yariv, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	100.00 / 2.00
Space group	I 21 3
Cell size a, b, c (Å), α, β, γ (°)	167.800, 167.800, 167.800, 90.00, 90.00, 90.00
R / Rfree (%)	17 / n/a

The structure of Concanavalin A Complexed with Methyl Alpha-D-Glucopyranoside also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Manganese atom in the Concanavalin A Complexed with Methyl Alpha-D-Glucopyranoside (pdb code 1gic). 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 Complexed with Methyl Alpha-D-Glucopyranoside, PDB code: 1gic:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Concanavalin A Complexed with Methyl Alpha-D-Glucopyranoside


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 with Methyl Alpha-D-Glucopyranoside within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn239 b:13.5 occ:1.00 O A:HOH302 2.0 15.4 1.0 O A:HOH301 2.1 11.8 1.0 OD2 A:ASP10 2.1 11.3 1.0 OD1 A:ASP19 2.3 16.4 1.0 NE2 A:HIS24 2.3 11.8 1.0 OE2 A:GLU8 2.3 15.8 1.0 CG A:ASP19 3.1 16.8 1.0 CG A:ASP10 3.1 12.1 1.0 CD2 A:HIS24 3.2 10.9 1.0 CE1 A:HIS24 3.2 11.0 1.0 CD A:GLU8 3.3 14.5 1.0 OE1 A:GLU8 3.5 11.8 1.0 OD2 A:ASP19 3.5 17.2 1.0 CB A:ASP10 3.6 11.5 1.0 O A:HOH360 3.9 32.6 1.0 O A:HOH300 4.0 11.1 1.0 OG A:SER34 4.1 12.0 1.0 OD1 A:ASP10 4.2 12.1 1.0 CB A:ASP19 4.2 18.6 1.0 CA A:CA240 4.2 13.3 1.0 ND1 A:HIS24 4.3 10.8 1.0 CG A:HIS24 4.4 10.5 1.0 CA A:ASP19 4.6 20.2 1.0 CG A:GLU8 4.6 13.4 1.0 O A:VAL32 4.6 18.5 1.0

Manganese binding site 2 out of 2 in the Concanavalin A Complexed with Methyl Alpha-D-Glucopyranoside


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 with Methyl Alpha-D-Glucopyranoside within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn239 b:14.2 occ:1.00 O B:HOH317 2.1 13.3 1.0 OD2 B:ASP10 2.1 6.8 1.0 OE2 B:GLU8 2.2 14.8 1.0 O B:HOH316 2.2 11.0 1.0 OD1 B:ASP19 2.3 15.6 1.0 NE2 B:HIS24 2.3 12.1 1.0 CG B:ASP19 3.1 15.3 1.0 CE1 B:HIS24 3.1 11.6 1.0 CG B:ASP10 3.1 9.6 1.0 CD B:GLU8 3.2 13.0 1.0 CD2 B:HIS24 3.3 11.8 1.0 OD2 B:ASP19 3.5 12.9 1.0 OE1 B:GLU8 3.5 12.8 1.0 CB B:ASP10 3.6 9.6 1.0 O B:HOH315 4.0 11.3 1.0 O B:HOH374 4.1 35.0 1.0 CA B:CA240 4.2 13.4 1.0 OD1 B:ASP10 4.2 8.9 1.0 OG B:SER34 4.3 13.6 1.0 CB B:ASP19 4.3 17.5 1.0 ND1 B:HIS24 4.3 11.8 1.0 CG B:HIS24 4.4 10.9 1.0 CG B:GLU8 4.5 11.4 1.0 CA B:ASP19 4.7 19.1 1.0 O B:HOH373 4.7 47.2 1.0 O B:VAL32 4.8 14.3 1.0

S.J.Harrop, J.R.Helliwell, T.C.Wan, A.J.Kalb, L.Tong, J.Yariv. Structure Solution of A Cubic Crystal of Concanavalin A Complexed with Methyl Alpha-D-Glucopyranoside. Acta Crystallogr.,Sect.D V. 52 143 1996.
ISSN: ISSN 0907-4449
PubMed: 15299735
DOI: 10.1107/S0907444995008742