Calcium in PDB 1enr: Co-Crystals of Demetallized Concanavalin A with Zinc and Calcium Having A Zinc Ion Bound in the S1 Site and A Calcium Ion Bound in the S2 Site

The structure of Co-Crystals of Demetallized Concanavalin A with Zinc and Calcium Having A Zinc Ion Bound in the S1 Site and A Calcium Ion Bound in the S2 Site, PDB code: 1enr was solved by J.Bouckaert, R.Loris, F.Poortmans, L.Wyns, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.83
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	63.090, 87.080, 89.110, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / n/a

The structure of Co-Crystals of Demetallized Concanavalin A with Zinc and Calcium Having A Zinc Ion Bound in the S1 Site and A Calcium Ion Bound in the S2 Site also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Calcium atom in the Co-Crystals of Demetallized Concanavalin A with Zinc and Calcium Having A Zinc Ion Bound in the S1 Site and A Calcium Ion Bound in the S2 Site (pdb code 1enr). 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 Co-Crystals of Demetallized Concanavalin A with Zinc and Calcium Having A Zinc Ion Bound in the S1 Site and A Calcium Ion Bound in the S2 Site, PDB code: 1enr:

Calcium binding site 1 out of 1 in the Co-Crystals of Demetallized Concanavalin A with Zinc and Calcium Having A Zinc Ion Bound in the S1 Site and A Calcium Ion Bound in the S2 Site


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Co-Crystals of Demetallized Concanavalin A with Zinc and Calcium Having A Zinc Ion Bound in the S1 Site and A Calcium Ion Bound in the S2 Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca238 b:7.5 occ:0.00 O A:TYR12 2.3 8.5 1.0 O A:HOH247 2.4 8.3 0.0 OD1 A:ASP10 2.4 8.7 1.0 OD2 A:ASP19 2.4 9.4 1.0 O A:HOH245 2.4 7.9 0.0 OD2 A:ASP10 2.5 7.5 1.0 OD1 A:ASN14 2.5 12.4 1.0 CG A:ASP10 2.8 7.3 1.0 CG A:ASP19 3.5 11.5 1.0 C A:TYR12 3.5 9.5 1.0 CG A:ASN14 3.6 12.0 1.0 OD1 A:ASP19 3.9 11.5 1.0 N A:ASN14 4.0 10.0 1.0 ZN A:ZN239 4.2 11.3 0.0 CB A:ASN14 4.2 11.3 1.0 CB A:ASP10 4.3 6.0 1.0 CA A:TYR12 4.3 8.6 1.0 N A:TYR12 4.4 8.9 1.0 N A:PRO13 4.5 11.7 1.0 O A:HOH248 4.5 10.4 0.0 CB A:TYR12 4.5 6.6 1.0 CA A:PRO13 4.6 11.9 1.0 O A:ASP208 4.6 6.3 1.0 CE1 A:HIS24 4.6 7.3 1.0 CB A:ASP19 4.7 10.9 1.0 C A:PRO13 4.7 12.3 1.0 ND2 A:ASN14 4.7 9.1 1.0 CA A:ASN14 4.7 11.4 1.0 OD1 A:ASP208 4.8 8.5 1.0 O A:ARG228 5.0 9.1 1.0 NE2 A:HIS24 5.0 7.0 1.0 CB A:ARG228 5.0 8.0 1.0

J.Bouckaert, F.Poortmans, L.Wyns, R.Loris. Sequential Structural Changes Upon Zinc and Calcium Binding to Metal-Free Concanavalin A. J.Biol.Chem. V. 271 16144 1996.
ISSN: ISSN 0021-9258
PubMed: 8663112
DOI: 10.1074/JBC.271.27.16144