Calcium in PDB 1nls: Concanavalin A and Its Bound Solvent at 0.94A Resolution

The structure of Concanavalin A and Its Bound Solvent at 0.94A Resolution, PDB code: 1nls was solved by A.M.Deacon, T.Gleichmann, J.R.Helliwell, A.J.Kalb(Gilboa), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 0.94
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.550, 86.460, 62.110, 90.00, 90.00, 90.00
R / Rfree (%)	12.7 / 15.4

The structure of Concanavalin A and Its Bound Solvent at 0.94A Resolution also contains other interesting chemical elements:

Manganese

(Mn)

1 atom

The binding sites of Calcium atom in the Concanavalin A and Its Bound Solvent at 0.94A Resolution (pdb code 1nls). 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 Concanavalin A and Its Bound Solvent at 0.94A Resolution, PDB code: 1nls:

Calcium binding site 1 out of 1 in the Concanavalin A and Its Bound Solvent at 0.94A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Concanavalin A and Its Bound Solvent at 0.94A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca240 b:6.4 occ:1.00 OD1 A:ASN14 2.4 7.9 1.0 O A:HOH410 2.4 7.7 1.0 O A:TYR12 2.4 7.8 1.0 OD2 A:ASP19 2.4 7.3 1.0 O A:HOH411 2.4 8.2 1.0 OD1 A:ASP10 2.5 7.1 1.0 OD2 A:ASP10 2.5 6.5 1.0 CG A:ASP10 2.8 6.2 1.0 CG A:ASN14 3.5 7.6 1.0 CG A:ASP19 3.5 7.1 1.0 C A:TYR12 3.6 7.0 1.0 OD1 A:ASP19 4.0 7.3 1.0 N A:ASN14 4.0 8.1 1.0 CB A:ASN14 4.2 8.8 1.0 MN A:MN239 4.2 6.5 1.0 CB A:ASP10 4.4 6.1 1.0 N A:TYR12 4.4 6.8 1.0 CA A:TYR12 4.4 6.7 1.0 O A:HOH412 4.5 7.4 1.0 ND2 A:ASN14 4.5 7.4 1.0 N A:PRO13 4.6 7.6 1.0 CE1 A:HIS24 4.6 7.2 1.0 CA A:PRO13 4.6 8.4 1.0 CB A:TYR12 4.6 7.2 1.0 O A:ASP208 4.7 6.9 1.0 C A:PRO13 4.7 8.7 1.0 CA A:ASN14 4.7 8.6 1.0 OD1 A:ASP208 4.7 9.1 1.0 CB A:ASP19 4.8 7.3 1.0 CB A:ARG228 4.9 7.9 1.0 O A:ARG228 4.9 7.5 1.0 NE2 A:HIS24 4.9 6.7 1.0 CA A:ARG228 4.9 6.9 1.0

A.Deacon, T.Gleichmann, A.J.Kalb(Gilboa), H.Price, J.Raftery, G.Bradbrook, J.Yariv, J.R.Helliwell. The Structure of Concanavalin A and Its Bound Solvent Determined with Small-Molecule Accuracy at 0.94 A Resolution J.Chem.Soc.,Faraday Trans. V. 93 4305 1997.
ISSN: ISSN 0956-5000