Calcium in PDB 1scs: High-Resolution Structures of Single-Metal-Substituted Concanavalin A: the Co,Ca-Protein at 1.6 Angstroms and the Ni,Ca-Protein at 2.0 Angstroms

The structure of High-Resolution Structures of Single-Metal-Substituted Concanavalin A: the Co,Ca-Protein at 1.6 Angstroms and the Ni,Ca-Protein at 2.0 Angstroms, PDB code: 1scs was solved by C.Emmerich, J.R.Helliwell, M.Redshaw, J.H.Naismith, S.J.Harrop, J.Raftery, A.J.Kalb, J.Yariv, Z.Dauter, K.S.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.60
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	88.700, 86.500, 62.500, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / n/a

The structure of High-Resolution Structures of Single-Metal-Substituted Concanavalin A: the Co,Ca-Protein at 1.6 Angstroms and the Ni,Ca-Protein at 2.0 Angstroms also contains other interesting chemical elements:

Cobalt

(Co)

1 atom

The binding sites of Calcium atom in the High-Resolution Structures of Single-Metal-Substituted Concanavalin A: the Co,Ca-Protein at 1.6 Angstroms and the Ni,Ca-Protein at 2.0 Angstroms (pdb code 1scs). 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 High-Resolution Structures of Single-Metal-Substituted Concanavalin A: the Co,Ca-Protein at 1.6 Angstroms and the Ni,Ca-Protein at 2.0 Angstroms, PDB code: 1scs:

Calcium binding site 1 out of 1 in the High-Resolution Structures of Single-Metal-Substituted Concanavalin A: the Co,Ca-Protein at 1.6 Angstroms and the Ni,Ca-Protein at 2.0 Angstroms


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of High-Resolution Structures of Single-Metal-Substituted Concanavalin A: the Co,Ca-Protein at 1.6 Angstroms and the Ni,Ca-Protein at 2.0 Angstroms within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca239 b:7.7 occ:1.00 O A:TYR12 2.3 9.1 1.0 OD2 A:ASP19 2.3 10.2 1.0 OD1 A:ASN14 2.4 9.7 1.0 OD1 A:ASP10 2.4 8.8 1.0 O A:HOH250 2.4 10.0 1.0 O A:HOH251 2.4 7.3 1.0 OD2 A:ASP10 2.5 7.4 1.0 CG A:ASP10 2.8 7.7 1.0 CG A:ASP19 3.4 9.6 1.0 CG A:ASN14 3.5 12.8 1.0 C A:TYR12 3.5 7.3 1.0 OD1 A:ASP19 3.9 8.9 1.0 N A:ASN14 4.0 7.6 1.0 CB A:ASN14 4.1 9.7 1.0 CO A:CO238 4.2 9.6 1.0 CA A:TYR12 4.3 7.6 1.0 CB A:ASP10 4.3 7.9 1.0 N A:TYR12 4.4 8.4 1.0 CB A:TYR12 4.4 6.2 1.0 O A:HOH249 4.5 8.3 1.0 N A:PRO13 4.5 12.7 1.0 ND2 A:ASN14 4.5 11.1 1.0 CA A:PRO13 4.6 10.6 1.0 CE1 A:HIS24 4.6 11.4 1.0 O A:ASP208 4.6 6.8 1.0 CA A:ASN14 4.7 7.2 1.0 CB A:ASP19 4.7 6.8 1.0 C A:PRO13 4.7 13.2 1.0 OD1 A:ASP208 4.8 9.6 1.0 O A:ARG228 4.9 8.9 1.0 NE2 A:HIS24 4.9 9.7 1.0 CB A:ARG228 4.9 11.0 1.0 CD1 A:TYR12 5.0 9.0 1.0

C.Emmerich, J.R.Helliwell, M.Redshaw, J.H.Naismith, S.J.Harrop, J.Raftery, A.J.Kalb, J.Yariv, Z.Dauter, K.S.Wilson. High-Resolution Structures of Single-Metal-Substituted Concanavalin A: the Co,Ca-Protein at 1.6 A and the Ni,Ca-Protein at 2.0 A. Acta Crystallogr.,Sect.D V. 50 749 1994.
ISSN: ISSN 0907-4449
PubMed: 15299372
DOI: 10.1107/S0907444994002143