Calcium in PDB 8pjx: Crystal Structure of the Computationally Designed SAKE6FR Protein

The structure of Crystal Structure of the Computationally Designed SAKE6FR Protein, PDB code: 8pjx was solved by S.M.L.Wouters, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.11 / 1.70
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	68.032, 68.032, 117.857, 90, 90, 90
R / Rfree (%)	18.2 / 18.5

The binding sites of Calcium atom in the Crystal Structure of the Computationally Designed SAKE6FR Protein (pdb code 8pjx). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of the Computationally Designed SAKE6FR Protein, PDB code: 8pjx:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of the Computationally Designed SAKE6FR Protein


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 the Computationally Designed SAKE6FR Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:66.5 occ:1.00 OE2 A:GLU29 2.4 56.1 1.0 OE1 A:GLU29 2.5 62.7 1.0 CD A:GLU29 2.8 60.4 1.0 CG A:GLU29 4.2 56.7 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of the Computationally Designed SAKE6FR Protein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the Computationally Designed SAKE6FR Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:57.4 occ:1.00 OE1 A:GLU123 2.1 63.6 1.0 OE2 A:GLU123 2.5 56.7 1.0 CD A:GLU123 2.6 52.8 1.0 O A:HOH549 2.7 62.1 1.0 O A:HOH426 2.9 52.5 1.0 CG A:GLU123 4.1 49.5 1.0 CB A:GLU123 4.8 47.6 1.0 CA A:GLU123 5.0 42.4 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of the Computationally Designed SAKE6FR Protein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of the Computationally Designed SAKE6FR Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:58.7 occ:1.00 OE2 A:GLU217 2.4 55.2 1.0 O A:HOH554 2.5 54.5 1.0 OE1 A:GLU217 2.6 55.9 1.0 O A:HOH573 2.7 65.8 1.0 CD A:GLU217 2.8 55.0 1.0 CG A:GLU217 4.3 57.5 1.0

S.M.L.Wouters, H.Noguchi, A.R.D.Voet. Computational Design of the Sake Scaffold Proteins To Be Published.