Calcium in PDB 3n1r: Crystal Structure of Shhn

The structure of Crystal Structure of Shhn, PDB code: 3n1r was solved by J.M.Kavran, D.J.Leahy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.28 / 2.13
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	63.006, 63.006, 91.102, 90.00, 90.00, 120.00
R / Rfree (%)	23.5 / 28.3

The structure of Crystal Structure of Shhn also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Calcium atom in the Crystal Structure of Shhn (pdb code 3n1r). 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 Shhn, PDB code: 3n1r:

Calcium binding site 1 out of 1 in the Crystal Structure of Shhn


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 Shhn within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca197 b:0.7 occ:1.00 OD2 A:ASP96 2.3 70.5 1.0 OE1 A:GLU90 2.6 0.8 1.0 O A:THR126 2.8 60.1 1.0 CG A:ASP96 3.0 73.3 1.0 OD1 A:ASP96 3.0 73.5 1.0 CD A:GLU90 3.1 0.5 1.0 OE2 A:GLU90 3.1 0.1 1.0 OE2 A:GLU91 3.2 0.4 1.0 N A:ASP89 3.4 66.7 1.0 CD A:GLU91 3.7 0.2 1.0 CA A:ASP89 3.8 71.6 1.0 N A:GLU90 3.8 0.7 1.0 C A:THR126 3.8 56.2 1.0 OE1 A:GLU91 3.8 0.2 1.0 O A:HOH212 4.1 0.3 1.0 CB A:LYS88 4.2 67.2 1.0 OE1 A:GLU127 4.3 83.2 1.0 C A:ASP89 4.3 78.0 1.0 CG A:GLU90 4.4 0.7 1.0 CB A:ASP96 4.4 60.9 1.0 CA A:GLU127 4.4 55.8 1.0 N A:GLU127 4.5 53.6 1.0 C A:LYS88 4.5 68.2 1.0 CG A:LYS88 4.6 59.9 1.0 O A:HOH32 4.7 0.8 1.0 CA A:THR126 4.8 52.1 1.0 CD A:LYS88 4.8 60.6 1.0 CA A:LYS88 4.9 67.0 1.0 CA A:GLU90 4.9 0.3 1.0 CB A:GLU90 4.9 0.1 1.0 CG A:GLU91 4.9 0.8 1.0 N A:GLU91 5.0 0.7 1.0 N A:GLY128 5.0 59.6 1.0

J.M.Kavran, M.D.Ward, O.O.Oladosu, S.Mulepati, D.J.Leahy. Crystal Structure of Shhn To Be Published.