Manganese in PDB 3nwk: A Second C2221 Form of Concanavalin A (Canavalia Ensiformis)

The structure of A Second C2221 Form of Concanavalin A (Canavalia Ensiformis), PDB code: 3nwk was solved by L.M.Foroughi, Y.N.Kang, A.J.Matzger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.66 / 2.09
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	101.518, 118.118, 250.113, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 21.2

The structure of A Second C2221 Form of Concanavalin A (Canavalia Ensiformis) also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Manganese atom in the A Second C2221 Form of Concanavalin A (Canavalia Ensiformis) (pdb code 3nwk). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the A Second C2221 Form of Concanavalin A (Canavalia Ensiformis), PDB code: 3nwk:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the A Second C2221 Form of Concanavalin A (Canavalia Ensiformis)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of A Second C2221 Form of Concanavalin A (Canavalia Ensiformis) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn239 b:14.5 occ:1.00 OD2 A:ASP10 2.0 11.1 1.0 OD1 A:ASP19 2.0 19.4 1.0 OE2 A:GLU8 2.0 13.8 1.0 NE2 A:HIS24 2.1 19.9 1.0 O A:HOH304 2.1 2.0 1.0 O A:HOH444 2.1 6.2 1.0 CG A:ASP19 3.0 17.3 1.0 CE1 A:HIS24 3.0 19.3 1.0 CG A:ASP10 3.1 19.4 1.0 CD A:GLU8 3.1 16.9 1.0 CD2 A:HIS24 3.1 18.5 1.0 OD2 A:ASP19 3.5 22.2 1.0 OE1 A:GLU8 3.5 13.3 1.0 CB A:ASP10 3.5 16.1 1.0 O A:HOH265 4.0 3.8 1.0 O A:HOH305 4.1 16.5 1.0 OG A:SER34 4.2 16.7 1.0 OD1 A:ASP10 4.2 17.0 1.0 CA A:CA238 4.2 17.6 1.0 ND1 A:HIS24 4.2 18.5 1.0 CB A:ASP19 4.3 19.9 1.0 CG A:HIS24 4.3 17.8 1.0 CG A:GLU8 4.5 12.5 1.0 O A:VAL32 4.5 18.3 1.0 CA A:ASP19 4.6 18.1 1.0

Manganese binding site 2 out of 4 in the A Second C2221 Form of Concanavalin A (Canavalia Ensiformis)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of A Second C2221 Form of Concanavalin A (Canavalia Ensiformis) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn239 b:13.5 occ:1.00 OD2 B:ASP10 2.0 11.4 1.0 OD1 B:ASP19 2.0 12.9 1.0 OE2 B:GLU8 2.0 13.9 1.0 NE2 B:HIS24 2.1 15.9 1.0 O B:HOH298 2.1 2.0 1.0 O B:HOH377 2.2 3.2 1.0 CG B:ASP19 3.0 14.2 1.0 CD B:GLU8 3.1 13.7 1.0 CG B:ASP10 3.1 17.5 1.0 CE1 B:HIS24 3.1 18.9 1.0 CD2 B:HIS24 3.1 17.4 1.0 OD2 B:ASP19 3.5 22.9 1.0 OE1 B:GLU8 3.5 13.7 1.0 CB B:ASP10 3.6 16.2 1.0 O B:HOH244 4.0 4.9 1.0 OG B:SER34 4.1 16.5 1.0 O B:HOH345 4.2 15.9 1.0 OD1 B:ASP10 4.2 15.0 1.0 CA B:CA238 4.2 16.4 1.0 O B:HOH344 4.2 20.3 1.0 ND1 B:HIS24 4.2 14.9 1.0 CB B:ASP19 4.3 19.2 1.0 CG B:HIS24 4.3 16.2 1.0 CG B:GLU8 4.5 10.3 1.0 O B:VAL32 4.6 16.2 1.0 CA B:ASP19 4.6 17.2 1.0

Manganese binding site 3 out of 4 in the A Second C2221 Form of Concanavalin A (Canavalia Ensiformis)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of A Second C2221 Form of Concanavalin A (Canavalia Ensiformis) within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn239 b:19.0 occ:1.00 OD2 C:ASP10 2.0 14.3 1.0 OD1 C:ASP19 2.0 28.0 1.0 OE2 C:GLU8 2.0 19.1 1.0 O C:HOH299 2.0 4.5 1.0 NE2 C:HIS24 2.1 23.4 1.0 O C:HOH301 2.1 11.2 1.0 CE1 C:HIS24 2.9 23.1 1.0 CG C:ASP19 3.0 25.0 1.0 CG C:ASP10 3.1 22.5 1.0 CD C:GLU8 3.2 22.4 1.0 CD2 C:HIS24 3.3 20.8 1.0 OD2 C:ASP19 3.5 30.1 1.0 CB C:ASP10 3.5 19.5 1.0 OE1 C:GLU8 3.6 18.5 1.0 O C:HOH274 4.0 9.0 1.0 O C:HOH282 4.1 26.9 1.0 ND1 C:HIS24 4.1 20.6 1.0 OD1 C:ASP10 4.2 22.2 1.0 OG C:SER34 4.2 20.1 1.0 CA C:CA238 4.2 20.1 1.0 CB C:ASP19 4.2 26.3 1.0 CG C:HIS24 4.3 18.4 1.0 CG C:GLU8 4.6 15.2 1.0 CA C:ASP19 4.6 25.8 1.0 O C:VAL32 4.6 23.5 1.0

Manganese binding site 4 out of 4 in the A Second C2221 Form of Concanavalin A (Canavalia Ensiformis)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of A Second C2221 Form of Concanavalin A (Canavalia Ensiformis) within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn239 b:17.8 occ:1.00 OD2 D:ASP10 2.0 13.8 1.0 OD1 D:ASP19 2.0 20.1 1.0 OE2 D:GLU8 2.1 16.0 1.0 O D:HOH426 2.1 8.8 1.0 O D:HOH242 2.1 2.0 1.0 NE2 D:HIS24 2.1 19.5 1.0 CG D:ASP19 3.0 16.1 1.0 CE1 D:HIS24 3.0 17.4 1.0 CG D:ASP10 3.1 20.1 1.0 CD D:GLU8 3.2 14.3 1.0 CD2 D:HIS24 3.2 15.4 1.0 OD2 D:ASP19 3.5 25.1 1.0 OE1 D:GLU8 3.5 15.6 1.0 CB D:ASP10 3.6 19.1 1.0 O D:HOH287 3.9 8.4 1.0 O D:HOH337 4.0 19.4 1.0 OG D:SER34 4.2 18.1 1.0 OD1 D:ASP10 4.2 18.4 1.0 ND1 D:HIS24 4.2 18.3 1.0 CA D:CA238 4.2 18.8 1.0 CB D:ASP19 4.3 21.1 1.0 CG D:HIS24 4.3 22.1 1.0 CG D:GLU8 4.5 17.3 1.0 CA D:ASP19 4.6 20.3 1.0 O D:VAL32 4.6 18.0 1.0

L.M.Foroughi, Y.N.Kang, A.J.Matzger. Polymer-Induced Heteronucleation For Protein Single Crystal Growth: Structural Elucidation of Bovine Liver Catalase and Concanavalin A Forms Cryst.Growth Des. V. 11 1294 2011.
ISSN: ISSN 1528-7483
DOI: 10.1021/CG101518F