Manganese in PDB 1gkb: Concanavalin A, New Crystal Form

The structure of Concanavalin A, New Crystal Form, PDB code: 1gkb was solved by K.Kantardjieff, B.Rupp, P.Hoechtl, B.Segelke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.63 / 1.56
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	118.700, 101.380, 111.970, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 20.6

The structure of Concanavalin A, New Crystal Form also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Calcium	(Ca)	2 atoms

The binding sites of Manganese atom in the Concanavalin A, New Crystal Form (pdb code 1gkb). 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, New Crystal Form, PDB code: 1gkb:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Concanavalin A, New Crystal Form


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Concanavalin A, New Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn801 b:22.8 occ:1.00 OD2 A:ASP10 2.1 21.9 1.0 O A:HOH2358 2.1 20.3 1.0 OE2 A:GLU8 2.2 21.6 1.0 NE2 A:HIS24 2.3 22.5 1.0 OD1 A:ASP19 2.3 23.2 1.0 O A:HOH2357 2.3 20.6 1.0 CG A:ASP19 3.2 25.1 1.0 CG A:ASP10 3.2 21.4 1.0 CD A:GLU8 3.2 22.9 1.0 CE1 A:HIS24 3.2 23.6 1.0 CD2 A:HIS24 3.3 23.6 1.0 OD2 A:ASP19 3.6 24.6 1.0 OE1 A:GLU8 3.6 21.7 1.0 CB A:ASP10 3.6 21.5 1.0 O A:HOH2343 3.9 20.9 1.0 O A:HOH2045 4.1 29.6 1.0 OG A:SER34 4.2 21.7 1.0 CA A:CA802 4.2 20.3 1.0 OD1 A:ASP10 4.3 22.4 1.0 CB A:ASP19 4.3 24.9 1.0 ND1 A:HIS24 4.4 23.2 1.0 O A:HOH2048 4.4 38.5 1.0 CG A:HIS24 4.4 23.2 1.0 CG A:GLU8 4.6 21.5 1.0 O A:VAL32 4.6 23.1 1.0 CA A:ASP19 4.7 25.9 1.0

Manganese binding site 2 out of 2 in the Concanavalin A, New Crystal Form


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Concanavalin A, New Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn901 b:23.5 occ:1.00 O B:HOH2330 2.1 22.7 1.0 OD2 B:ASP10 2.1 23.6 1.0 OE2 B:GLU8 2.2 21.2 1.0 OD1 B:ASP19 2.2 24.8 1.0 O B:HOH2329 2.3 22.6 1.0 NE2 B:HIS24 2.3 24.1 1.0 CG B:ASP19 3.2 26.7 1.0 CG B:ASP10 3.2 24.2 1.0 CD B:GLU8 3.2 25.4 1.0 CE1 B:HIS24 3.2 24.3 1.0 CD2 B:HIS24 3.3 25.1 1.0 OE1 B:GLU8 3.5 25.0 1.0 OD2 B:ASP19 3.6 23.9 1.0 CB B:ASP10 3.7 23.4 1.0 O B:HOH2319 4.0 23.1 1.0 O B:HOH2042 4.1 37.8 1.0 OG B:SER34 4.1 23.3 1.0 O B:HOH2039 4.2 45.4 1.0 CA B:CA902 4.2 23.2 1.0 OD1 B:ASP10 4.3 23.3 1.0 CB B:ASP19 4.3 26.1 1.0 ND1 B:HIS24 4.4 23.0 1.0 CG B:HIS24 4.4 22.8 1.0 CG B:GLU8 4.6 23.1 1.0 O B:VAL32 4.6 25.9 1.0 CA B:ASP19 4.6 27.4 1.0

K.Kantardjieff, P.Hochtl, B.Segelke, F.Tao, B.Rupp. Concanavalin A in A Dimeric Crystal Form: Revisiting Structural Accuracy and Molecular Flexibility Acta Crystallogr.,Sect.D V. 58 735 2002.
ISSN: ISSN 0907-4449
PubMed: 11976483
DOI: 10.1107/S0907444901019588