Calcium in PDB 1jw6: Crystal Structure of the Complex of Concanavalin A and Hexapeptide

The structure of Crystal Structure of the Complex of Concanavalin A and Hexapeptide, PDB code: 1jw6 was solved by Z.Zhang, M.Qian, Q.Huang, Y.Jia, Y.Tang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.01 / 1.93
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	63.360, 86.380, 89.250, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 25

The structure of Crystal Structure of the Complex of Concanavalin A and Hexapeptide also contains other interesting chemical elements:

Manganese

(Mn)

1 atom

The binding sites of Calcium atom in the Crystal Structure of the Complex of Concanavalin A and Hexapeptide (pdb code 1jw6). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of the Complex of Concanavalin A and Hexapeptide, PDB code: 1jw6:

Calcium binding site 1 out of 1 in the Crystal Structure of the Complex of Concanavalin A and Hexapeptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the Complex of Concanavalin A and Hexapeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca241 b:20.3 occ:1.00 O A:HOH549 2.1 19.6 1.0 OD1 A:ASN14 2.2 19.8 1.0 O A:TYR12 2.2 21.8 1.0 O A:HOH535 2.3 19.5 1.0 OD2 A:ASP19 2.4 18.8 1.0 OD1 A:ASP10 2.5 18.2 1.0 OD2 A:ASP10 2.6 20.8 1.0 CG A:ASP10 2.9 17.5 1.0 CG A:ASN14 3.4 17.3 1.0 C A:TYR12 3.4 18.8 1.0 CG A:ASP19 3.6 19.8 1.0 N A:ASN14 4.0 20.8 1.0 CB A:ASN14 4.1 17.5 1.0 OD1 A:ASP19 4.2 18.8 1.0 CA A:TYR12 4.2 19.2 1.0 CB A:TYR12 4.4 19.0 1.0 N A:PRO13 4.4 23.8 1.0 N A:TYR12 4.4 18.5 1.0 CB A:ASP10 4.4 15.1 1.0 ND2 A:ASN14 4.4 17.2 1.0 MN A:MN240 4.5 27.5 1.0 OD1 A:ASP208 4.5 18.0 1.0 O A:ASP208 4.6 14.9 1.0 CA A:PRO13 4.6 23.2 1.0 CB A:ARG228 4.7 16.4 1.0 C A:PRO13 4.7 23.1 1.0 CA A:ASN14 4.7 18.4 1.0 CB A:ASP19 4.8 19.6 1.0 O A:HOH536 4.8 16.5 1.0 O A:ARG228 4.8 16.9 1.0 CA A:ARG228 4.8 17.1 1.0 CD2 A:TYR12 5.0 19.7 1.0

Z.Zhang, M.Qian, Q.Huang, Y.Jia, Y.Tang, K.Wang, D.Cui, M.Li. Crystal Structure of the Complex of Concanavalin A and Hexapeptide. J.Protein Chem. V. 20 423 2001.
ISSN: ISSN 0277-8033
PubMed: 11732694
DOI: 10.1023/A:1012289022412