Calcium in PDB 8cig: Crystal Structure of An 8-Repeat Consensus Tpr Superhelix in Tris Buffer with Calcium.

The structure of Crystal Structure of An 8-Repeat Consensus Tpr Superhelix in Tris Buffer with Calcium., PDB code: 8cig was solved by M.Liutkus, A.L.Rojas, A.L.Cortajarena, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.93 / 1.40
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	68.046, 68.046, 72.285, 90, 90, 120
R / Rfree (%)	16.9 / 19.2

The structure of Crystal Structure of An 8-Repeat Consensus Tpr Superhelix in Tris Buffer with Calcium. also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Calcium atom in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix in Tris Buffer with Calcium. (pdb code 8cig). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix in Tris Buffer with Calcium., PDB code: 8cig:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix in Tris Buffer with Calcium.


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 An 8-Repeat Consensus Tpr Superhelix in Tris Buffer with Calcium. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:20.5 occ:1.00 OD1 A:ASP52 2.3 19.9 1.0 CG A:ASP52 3.5 19.0 1.0 CA A:CA302 4.0 19.2 1.0 CB A:ASP52 4.0 18.6 1.0 O A:HOH452 4.3 35.0 1.0 OD2 A:ASP52 4.5 20.0 1.0 O A:HOH508 4.6 31.9 1.0 CL A:CL312 4.7 63.2 1.0 O A:HOH444 5.0 42.5 1.0

Calcium binding site 2 out of 6 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix in Tris Buffer with Calcium.


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 An 8-Repeat Consensus Tpr Superhelix in Tris Buffer with Calcium. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:19.2 occ:1.00 O A:HOH508 2.3 31.9 1.0 OD1 A:ASP52 2.5 19.9 1.0 OD2 A:ASP52 2.6 20.0 1.0 CG A:ASP52 2.9 19.0 1.0 CA A:CA303 3.9 19.2 1.0 CA A:CA301 4.0 20.5 1.0 CB A:ASP52 4.4 18.6 1.0 OE1 A:GLN82 4.4 19.0 1.0 O A:HOH465 4.5 21.6 1.0 CL A:CL313 4.5 34.8 0.5 CL A:CL312 4.8 63.2 1.0 O A:HOH447 4.9 26.3 1.0

Calcium binding site 3 out of 6 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix in Tris Buffer with Calcium.


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 An 8-Repeat Consensus Tpr Superhelix in Tris Buffer with Calcium. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:19.2 occ:1.00 OE1 A:GLN82 2.3 19.0 1.0 O A:HOH448 2.4 20.9 1.0 CD A:GLN82 3.4 18.4 1.0 CG A:GLN82 3.9 17.1 1.0 CA A:CA302 3.9 19.2 1.0 CB A:GLN82 3.9 16.4 1.0 CL A:CL313 4.3 34.8 0.5 O A:HOH447 4.3 26.3 1.0 OD2 A:ASP52 4.5 20.0 1.0 NE2 A:GLN82 4.5 17.9 1.0 OD2 A:ASP84 4.6 22.4 1.0 O A:GLN82 4.8 20.1 1.0 O A:HOH501 4.8 25.1 1.0 CA A:GLN82 4.9 17.6 1.0

Calcium binding site 4 out of 6 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix in Tris Buffer with Calcium.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of An 8-Repeat Consensus Tpr Superhelix in Tris Buffer with Calcium. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca304 b:20.0 occ:0.50 O A:HOH428 1.7 31.2 1.0 O A:HOH431 2.0 30.5 1.0 O A:HOH438 2.4 35.1 1.0 O A:ARG67 2.5 26.3 1.0 O A:HOH464 2.5 26.4 0.5 C A:ARG67 3.2 22.1 1.0 N A:SER68 3.8 23.8 1.0 CB A:ARG67 3.9 21.7 1.0 CA A:SER68 3.9 24.3 1.0 O A:HOH518 4.0 46.3 1.0 CA A:ARG67 4.1 20.5 1.0 OD2 A:ASP65 4.2 24.2 1.0 OD1 A:ASP65 4.3 25.8 1.0 O A:HOH495 4.4 52.4 1.0 N A:ALA69 4.5 23.3 1.0 OE2 A:GLU70 4.6 37.0 1.0 CG A:ASP65 4.7 22.6 1.0 C A:SER68 4.8 24.6 1.0

Calcium binding site 5 out of 6 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix in Tris Buffer with Calcium.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of An 8-Repeat Consensus Tpr Superhelix in Tris Buffer with Calcium. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca305 b:19.4 occ:0.50 OD1 A:ASP86 2.3 31.2 1.0 O A:HOH469 2.3 35.7 1.0 O A:HOH461 2.3 29.6 1.0 O A:HOH457 2.3 31.3 1.0 O A:HOH479 2.4 34.0 1.0 O A:HOH512 2.6 48.0 1.0 O A:HOH407 3.3 39.0 1.0 CG A:ASP86 3.4 32.3 1.0 OD2 A:ASP86 3.9 39.5 1.0 OE1 A:GLU87 4.4 25.6 1.0 O A:GLY83 4.5 20.6 1.0 N A:TYR85 4.5 17.1 1.0 OE1 A:GLN116 4.6 25.3 1.0 N A:ASP86 4.6 20.0 1.0 CA A:ASP84 4.7 16.5 1.0 CB A:ASP86 4.7 28.8 1.0 OD1 A:ASP84 4.7 23.1 1.0 C A:ASP84 4.9 17.0 1.0 NE2 A:GLN116 4.9 29.8 1.0

Calcium binding site 6 out of 6 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix in Tris Buffer with Calcium.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of An 8-Repeat Consensus Tpr Superhelix in Tris Buffer with Calcium. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca306 b:28.6 occ:0.50 O A:HOH403 2.1 47.8 1.0 O A:HOH452 2.4 35.0 1.0 OD2 A:ASP50 3.9 28.5 1.0 CG A:ASP50 4.6 20.4 1.0 CG A:GLU53 4.7 35.4 1.0 OD1 A:ASP50 4.7 23.2 1.0 O A:HOH482 4.8 45.5 1.0 O A:HOH516 4.9 23.6 1.0

M.Liutkus, A.L.Rojas, I.R.Sasselli, A.L.Cortajarena. Diverse Crystalline Protein Scaffolds Through Metal-Dependent Polymorphism. To Be Published.