Calcium 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:

Manganese

(Mn)

4 atoms

The binding sites of Calcium 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 Calcium atom.
In total 4 binding sites of Calcium where determined in the Concanavalin A Complex with 4'-Methylumbelliferyl-Alpha-D- Glucopyranoside, PDB code: 1cjp:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium 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 Calcium with other atoms in the Ca 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:Ca239 b:10.2 occ:1.00 O A:HOH243 2.2 6.3 1.0 OD1 A:ASP10 2.3 15.0 1.0 O A:TYR12 2.3 13.8 1.0 O A:HOH244 2.3 4.3 1.0 OD2 A:ASP19 2.4 13.6 1.0 OD1 A:ASN14 2.4 16.4 1.0 OD2 A:ASP10 2.5 10.7 1.0 CG A:ASP10 2.7 15.0 1.0 C A:TYR12 3.5 10.8 1.0 CG A:ASP19 3.5 15.8 1.0 CG A:ASN14 3.6 14.6 1.0 N A:ASN14 4.0 14.3 1.0 OD1 A:ASP19 4.1 13.4 1.0 CB A:ASP10 4.2 10.0 1.0 CB A:ASN14 4.2 11.8 1.0 MN A:MN238 4.2 14.7 1.0 CA A:TYR12 4.3 8.0 1.0 N A:TYR12 4.3 10.4 1.0 N A:PRO13 4.5 12.9 1.0 CB A:TYR12 4.5 8.6 1.0 O A:ASP208 4.6 14.4 1.0 OD2 A:ASP208 4.6 14.6 1.0 CA A:PRO13 4.6 12.9 1.0 O A:HOH242 4.6 10.1 1.0 ND2 A:ASN14 4.6 7.2 1.0 C A:PRO13 4.7 12.7 1.0 CB A:ASP19 4.7 15.2 1.0 CB A:ARG228 4.8 15.3 1.0 CA A:ASN14 4.8 14.8 1.0 CA A:ARG228 4.8 11.7 1.0 CE1 A:HIS24 4.8 6.9 1.0 O A:ARG228 4.8 14.1 1.0 CD2 A:TYR12 5.0 15.6 1.0 CA A:ASP10 5.0 9.4 1.0

Calcium 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 Calcium with other atoms in the Ca 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:Ca239 b:8.4 occ:1.00 O B:HOH244 2.2 11.4 1.0 O B:HOH241 2.3 3.9 1.0 OD2 B:ASP19 2.3 17.7 1.0 O B:TYR12 2.3 5.4 1.0 OD1 B:ASN14 2.4 12.3 1.0 OD1 B:ASP10 2.4 14.9 1.0 OD2 B:ASP10 2.5 6.6 1.0 CG B:ASP10 2.8 10.6 1.0 CG B:ASP19 3.5 16.3 1.0 CG B:ASN14 3.5 11.1 1.0 C B:TYR12 3.6 9.2 1.0 OD1 B:ASP19 4.0 14.4 1.0 N B:ASN14 4.0 11.4 1.0 CB B:ASN14 4.1 11.0 1.0 MN B:MN238 4.2 11.5 1.0 CB B:ASP10 4.3 7.0 1.0 O B:HOH242 4.4 2.0 1.0 CA B:TYR12 4.4 8.8 1.0 N B:TYR12 4.5 7.6 1.0 N B:PRO13 4.5 8.6 1.0 ND2 B:ASN14 4.6 4.2 1.0 CA B:PRO13 4.6 9.9 1.0 CB B:TYR12 4.6 10.2 1.0 CB B:ASP19 4.6 16.1 1.0 OD2 B:ASP208 4.6 12.5 1.0 C B:PRO13 4.7 10.9 1.0 O B:ASP208 4.7 14.9 1.0 CA B:ASN14 4.7 12.0 1.0 O B:ARG228 4.7 13.0 1.0 CE1 B:HIS24 4.8 4.3 1.0 CA B:ARG228 4.9 15.6 1.0 CB B:ARG228 5.0 17.1 1.0

Calcium 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 Calcium with other atoms in the Ca 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:Ca239 b:10.8 occ:1.00 OD2 C:ASP19 2.2 13.3 1.0 O C:TYR12 2.2 13.4 1.0 OD1 C:ASN14 2.3 12.1 1.0 O C:HOH243 2.4 5.5 1.0 OD1 C:ASP10 2.4 11.7 1.0 O C:HOH244 2.5 2.0 1.0 OD2 C:ASP10 2.5 7.3 1.0 CG C:ASP10 2.8 12.2 1.0 CG C:ASP19 3.4 14.2 1.0 C C:TYR12 3.5 10.5 1.0 CG C:ASN14 3.5 15.1 1.0 N C:ASN14 3.9 16.6 1.0 OD1 C:ASP19 3.9 13.7 1.0 CB C:ASN14 4.1 9.9 1.0 MN C:MN238 4.2 13.7 1.0 CB C:ASP10 4.3 9.1 1.0 CA C:TYR12 4.4 8.3 1.0 N C:PRO13 4.4 12.5 1.0 N C:TYR12 4.4 10.8 1.0 CA C:PRO13 4.5 12.8 1.0 O C:HOH242 4.5 10.9 1.0 CB C:ASP19 4.5 12.7 1.0 C C:PRO13 4.6 13.9 1.0 CB C:TYR12 4.6 8.5 1.0 ND2 C:ASN14 4.6 10.0 1.0 CA C:ASN14 4.6 14.4 1.0 OD2 C:ASP208 4.7 12.2 1.0 O C:ASP208 4.7 11.1 1.0 CE1 C:HIS24 4.8 8.7 1.0 O C:ARG228 4.9 3.4 1.0 CA C:ARG228 4.9 7.2 1.0 CB C:ARG228 4.9 10.8 1.0 CD2 C:TYR12 5.0 15.4 1.0

Calcium 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 Calcium with other atoms in the Ca 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:Ca239 b:7.4 occ:1.00 O D:HOH244 2.1 5.8 1.0 O D:TYR12 2.2 8.2 1.0 OD1 D:ASN14 2.3 11.2 1.0 O D:HOH243 2.3 9.8 1.0 OD2 D:ASP19 2.3 17.1 1.0 OD1 D:ASP10 2.4 12.7 1.0 OD2 D:ASP10 2.6 3.4 1.0 CG D:ASP10 2.9 11.3 1.0 CG D:ASN14 3.4 11.8 1.0 C D:TYR12 3.4 9.2 1.0 CG D:ASP19 3.5 14.5 1.0 N D:ASN14 3.9 13.4 1.0 OD1 D:ASP19 4.1 16.3 1.0 CB D:ASN14 4.1 9.2 1.0 CA D:TYR12 4.3 7.8 1.0 CB D:ASP10 4.4 6.6 1.0 N D:TYR12 4.4 7.5 1.0 N D:PRO13 4.4 9.3 1.0 MN D:MN238 4.5 12.3 1.0 CB D:TYR12 4.5 10.0 1.0 ND2 D:ASN14 4.5 8.8 1.0 CA D:PRO13 4.5 10.5 1.0 OD2 D:ASP208 4.5 10.4 1.0 C D:PRO13 4.6 11.0 1.0 CA D:ASN14 4.6 11.8 1.0 CB D:ASP19 4.6 13.5 1.0 O D:HOH241 4.6 2.0 1.0 O D:ASP208 4.7 12.2 1.0 CB D:ARG228 4.8 11.6 1.0 CD2 D:TYR12 4.9 15.4 1.0 CA D:ARG228 4.9 7.4 1.0 CE1 D:HIS24 4.9 6.0 1.0 O D:ARG228 4.9 9.3 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