Manganese in PDB 1cjp: Concanavalin A Complex with 4'-Methylumbelliferyl-Alpha-D- Glucopyranoside

The structure of Concanavalin A Complex with 4'-Methylumbelliferyl-Alpha-D- Glucopyranoside, PDB code: 1cjp was solved by S.J.Hamodrakas, P.N.Kanellopoulos, P.A.Tucker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.78
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	81.620, 128.710, 82.230, 90.00, 118.47, 90.00
R / Rfree (%)	18.2 / 21.6

The structure of Concanavalin A Complex with 4'-Methylumbelliferyl-Alpha-D- Glucopyranoside also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Manganese atom in the Concanavalin A Complex with 4'-Methylumbelliferyl-Alpha-D- Glucopyranoside (pdb code 1cjp). 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 Complex with 4'-Methylumbelliferyl-Alpha-D- Glucopyranoside, PDB code: 1cjp:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Concanavalin A Complex with 4'-Methylumbelliferyl-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 Complex with 4'-Methylumbelliferyl-Alpha-D- Glucopyranoside within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn238 b:14.7 occ:1.00 OD2 A:ASP10 2.1 10.7 1.0 OD1 A:ASP19 2.1 13.4 1.0 O A:HOH241 2.1 9.4 1.0 OE2 A:GLU8 2.2 15.2 1.0 NE2 A:HIS24 2.3 4.5 1.0 O A:HOH242 2.3 10.1 1.0 CG A:ASP19 3.1 15.8 1.0 CG A:ASP10 3.1 15.0 1.0 CE1 A:HIS24 3.2 6.9 1.0 CD A:GLU8 3.3 13.5 1.0 CD2 A:HIS24 3.4 6.9 1.0 CB A:ASP10 3.4 10.0 1.0 OD2 A:ASP19 3.5 13.6 1.0 OE1 A:GLU8 3.7 10.3 1.0 O A:HOH244 3.9 4.3 1.0 OG A:SER34 4.1 10.3 1.0 OD1 A:ASP10 4.2 15.0 1.0 CA A:CA239 4.2 10.2 1.0 O A:HOH245 4.2 42.5 1.0 CB A:ASP19 4.3 15.2 1.0 ND1 A:HIS24 4.3 6.4 1.0 CG A:HIS24 4.5 9.3 1.0 CG A:GLU8 4.6 7.6 1.0 CA A:ASP19 4.6 18.2 1.0 O A:VAL32 4.8 15.2 1.0 CA A:ASP10 4.9 9.4 1.0 CD A:PRO20 5.0 21.3 1.0

Manganese binding site 2 out of 4 in the Concanavalin A Complex with 4'-Methylumbelliferyl-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 Complex with 4'-Methylumbelliferyl-Alpha-D- Glucopyranoside within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn238 b:11.5 occ:1.00 O B:HOH242 1.9 2.0 1.0 OE2 B:GLU8 2.1 10.9 1.0 OD2 B:ASP10 2.2 6.6 1.0 OD1 B:ASP19 2.2 14.4 1.0 O B:HOH243 2.2 6.1 1.0 NE2 B:HIS24 2.3 2.3 1.0 CG B:ASP19 3.1 16.3 1.0 CG B:ASP10 3.1 10.6 1.0 CD B:GLU8 3.2 9.2 1.0 CE1 B:HIS24 3.2 4.3 1.0 CD2 B:HIS24 3.4 6.6 1.0 CB B:ASP10 3.5 7.0 1.0 OD2 B:ASP19 3.5 17.7 1.0 OE1 B:GLU8 3.6 5.5 1.0 O B:HOH245 3.9 51.8 1.0 OG B:SER34 4.1 10.9 1.0 O B:HOH241 4.2 3.9 1.0 CA B:CA239 4.2 8.4 1.0 OD1 B:ASP10 4.2 14.9 1.0 CB B:ASP19 4.3 16.1 1.0 ND1 B:HIS24 4.4 7.0 1.0 CG B:GLU8 4.5 7.5 1.0 CG B:HIS24 4.5 7.0 1.0 CA B:ASP19 4.7 16.7 1.0 O B:VAL32 4.7 12.0 1.0 CA B:ASP10 5.0 7.7 1.0

Manganese binding site 3 out of 4 in the Concanavalin A Complex with 4'-Methylumbelliferyl-Alpha-D- Glucopyranoside


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Concanavalin A Complex with 4'-Methylumbelliferyl-Alpha-D- Glucopyranoside within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn238 b:13.7 occ:1.00 O C:HOH241 2.1 3.0 1.0 OD1 C:ASP19 2.2 13.7 1.0 OD2 C:ASP10 2.2 7.3 1.0 OE2 C:GLU8 2.2 15.3 1.0 NE2 C:HIS24 2.2 10.6 1.0 O C:HOH242 2.3 10.9 1.0 CG C:ASP19 3.1 14.2 1.0 CG C:ASP10 3.1 12.2 1.0 CE1 C:HIS24 3.2 8.7 1.0 CD C:GLU8 3.3 10.8 1.0 CD2 C:HIS24 3.3 8.5 1.0 CB C:ASP10 3.4 9.1 1.0 OD2 C:ASP19 3.5 13.3 1.0 OE1 C:GLU8 3.7 8.8 1.0 O C:HOH243 4.1 5.5 1.0 OG C:SER34 4.1 4.8 1.0 CA C:CA239 4.2 10.8 1.0 OD1 C:ASP10 4.3 11.7 1.0 CB C:ASP19 4.3 12.7 1.0 ND1 C:HIS24 4.3 7.0 1.0 CG C:HIS24 4.4 8.8 1.0 CG C:GLU8 4.5 6.9 1.0 CA C:ASP19 4.6 15.1 1.0 O C:VAL32 4.8 9.6 1.0 CD C:PRO20 5.0 20.5 1.0 CA C:ASP10 5.0 8.8 1.0

Manganese binding site 4 out of 4 in the Concanavalin A Complex with 4'-Methylumbelliferyl-Alpha-D- Glucopyranoside


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Concanavalin A Complex with 4'-Methylumbelliferyl-Alpha-D- Glucopyranoside within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn238 b:12.3 occ:1.00 OE2 D:GLU8 2.2 11.2 1.0 NE2 D:HIS24 2.2 4.5 1.0 OD1 D:ASP19 2.2 16.3 1.0 O D:HOH241 2.2 2.0 1.0 OD2 D:ASP10 2.3 3.4 1.0 O D:HOH242 2.5 37.5 1.0 CE1 D:HIS24 3.1 6.0 1.0 CG D:ASP19 3.1 14.5 1.0 CG D:ASP10 3.2 11.3 1.0 CD D:GLU8 3.2 8.6 1.0 CD2 D:HIS24 3.3 7.6 1.0 CB D:ASP10 3.5 6.6 1.0 OD2 D:ASP19 3.6 17.1 1.0 OE1 D:GLU8 3.7 2.0 1.0 OG D:SER34 4.0 9.5 1.0 O D:HOH243 4.2 9.8 1.0 ND1 D:HIS24 4.3 9.1 1.0 OD1 D:ASP10 4.3 12.7 1.0 CB D:ASP19 4.3 13.5 1.0 CG D:HIS24 4.4 10.1 1.0 CA D:CA239 4.5 7.4 1.0 CG D:GLU8 4.5 8.6 1.0 CA D:ASP19 4.6 15.8 1.0 O D:VAL32 4.8 8.2 1.0 CD D:PRO20 4.9 16.1 1.0

S.J.Hamodrakas, P.N.Kanellopoulos, K.Pavlou, P.A.Tucker. The Crystal Structure of the Complex of Concanavalin A with 4'-Methylumbelliferyl-Alpha-D-Glucopyranoside. J.Struct.Biol. V. 118 23 1997.
ISSN: ISSN 1047-8477
PubMed: 9087912
DOI: 10.1006/JSBI.1996.3837