Calcium in PDB 2uu8: X-Ray Structure of Ni, Ca Concanavalin A at Ultra-High Resolution (0. 94A)

The structure of X-Ray Structure of Ni, Ca Concanavalin A at Ultra-High Resolution (0. 94A), PDB code: 2uu8 was solved by H.U.Ahmed, M.P.Blakeley, M.Cianci, D.W.J.Cruickshank, J.A.Hubbard, J.R.Helliwell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.23 / 0.94
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	88.867, 86.049, 61.539, 90.00, 90.00, 90.00
R / Rfree (%)	12 / 14.2

The structure of X-Ray Structure of Ni, Ca Concanavalin A at Ultra-High Resolution (0. 94A) also contains other interesting chemical elements:

Nickel

(Ni)

1 atom

The binding sites of Calcium atom in the X-Ray Structure of Ni, Ca Concanavalin A at Ultra-High Resolution (0. 94A) (pdb code 2uu8). 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 X-Ray Structure of Ni, Ca Concanavalin A at Ultra-High Resolution (0. 94A), PDB code: 2uu8:

Calcium binding site 1 out of 1 in the X-Ray Structure of Ni, Ca Concanavalin A at Ultra-High Resolution (0. 94A)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of X-Ray Structure of Ni, Ca Concanavalin A at Ultra-High Resolution (0. 94A) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca240 b:7.2 occ:1.00 OD1 A:ASN14 2.3 8.7 1.0 O A:TYR12 2.4 8.5 1.0 O A:HOH1255 2.4 8.6 1.0 OD2 A:ASP19 2.4 7.8 1.0 O A:HOH1276 2.4 8.3 1.0 OD1 A:ASP10 2.4 7.6 1.0 OD2 A:ASP10 2.5 7.2 1.0 CG A:ASP10 2.8 7.0 1.0 CG A:ASP19 3.5 7.5 1.0 CG A:ASN14 3.5 8.3 1.0 C A:TYR12 3.6 7.6 1.0 OD1 A:ASP19 3.9 8.1 1.0 N A:ASN14 4.0 8.4 1.0 CB A:ASN14 4.1 9.1 1.0 NI A:NI239 4.1 5.5 1.0 CB A:ASP10 4.3 7.3 1.0 O A:HOH1006 4.3 8.0 1.0 N A:TYR12 4.4 7.5 1.0 CA A:TYR12 4.4 7.4 1.0 ND2 A:ASN14 4.5 9.1 1.0 CE1 A:HIS24 4.5 7.3 1.0 N A:PRO13 4.5 8.1 1.0 CA A:PRO13 4.6 8.8 1.0 CB A:TYR12 4.6 8.0 1.0 C A:PRO13 4.6 9.2 1.0 O A:ASP208 4.7 7.6 1.0 CA A:ASN14 4.7 9.0 1.0 CB A:ASP19 4.7 8.4 1.0 OD1 A:ASP208 4.7 10.6 1.0 CB A:ARG228 4.8 8.1 1.0 NE2 A:HIS24 4.8 7.0 1.0 O A:ARG228 4.8 8.3 1.0 CA A:ARG228 4.9 7.2 1.0

H.U.Ahmed, M.P.Blakeley, M.Cianci, D.W.J.Cruickshank, J.A.Hubbard, J.R.Helliwell. The Determination of Protonation States in Proteins. Acta Crystallogr.,Sect.D V. 63 906 2007.
ISSN: ISSN 0907-4449
PubMed: 17642517
DOI: 10.1107/S0907444907029976