Chlorine in PDB 8cqp: Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Calcium (Low Concentration)

The structure of Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Calcium (Low Concentration), PDB code: 8cqp 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)	57.97 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	66.448, 70.249, 102.619, 90, 90, 90
R / Rfree (%)	20.1 / 23.9

The structure of Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Calcium (Low Concentration) also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

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

Chlorine binding site 1 out of 5 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Calcium (Low Concentration)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Calcium (Low Concentration) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl309 b:86.7 occ:1.00 CH2 A:TRP106 4.6 35.9 1.0 CG A:GLN93 4.8 28.7 1.0 CZ3 A:TRP106 4.8 36.8 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Calcium (Low Concentration)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Calcium (Low Concentration) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl310 b:90.4 occ:1.00 O A:GLN59 3.8 31.5 1.0 OE2 C:GLU70 3.9 44.6 1.0 CB A:LEU62 4.3 28.3 1.0 CA A:GLN59 4.3 30.9 1.0 CB A:GLN59 4.5 30.7 1.0 CG A:GLN59 4.5 33.6 1.0 C A:GLN59 4.5 30.1 1.0 CD C:GLU70 4.5 40.3 1.0 N A:GLU63 4.6 31.4 1.0 CH2 A:TRP72 4.6 30.0 1.0 CG A:GLU63 4.6 48.9 1.0 C A:LEU62 4.8 30.1 1.0 CG C:GLU70 4.9 31.9 1.0 CZ3 A:TRP72 4.9 29.8 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Calcium (Low Concentration)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Calcium (Low Concentration) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl311 b:64.7 occ:1.00 O A:HOH420 2.7 55.8 1.0 O C:HOH418 2.7 31.3 1.0 OD2 A:ASP86 3.0 33.6 1.0 N A:ASP86 3.1 25.3 1.0 O A:HOH448 3.4 54.6 1.0 CB A:ASP86 3.4 28.8 1.0 CG A:ASP86 3.5 30.5 1.0 N A:TYR85 3.7 25.1 1.0 CA A:ASP86 3.9 25.1 1.0 C A:ASP84 4.1 27.5 1.0 C A:TYR85 4.2 24.2 1.0 CA A:ASP84 4.3 28.7 1.0 CA A:TYR85 4.4 25.3 1.0 OE1 A:GLN116 4.6 38.8 1.0 OD1 A:ASP86 4.6 32.0 1.0 N A:GLU87 4.8 25.1 1.0 O C:LEU98 4.8 30.3 1.0 CB A:TYR85 4.8 25.2 1.0 O A:GLY83 4.8 30.9 1.0 C A:ASP86 4.9 21.7 1.0 O A:ASP84 4.9 24.1 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Calcium (Low Concentration)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Calcium (Low Concentration) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl312 b:76.7 occ:1.00 O A:HOH449 3.2 60.1 1.0 OG A:SER68 3.4 34.0 1.0 CB A:SER68 3.8 30.9 1.0 OD2 A:ASP65 4.3 43.3 1.0 CB A:TYR39 4.3 25.3 1.0 CG A:TYR39 4.4 25.8 1.0 CD2 A:TYR39 4.4 29.6 1.0 OE2 A:GLU36 4.5 60.7 1.0 CB A:ALA35 4.6 33.5 1.0 CG A:GLU36 4.7 49.9 1.0 O A:ALA35 4.7 31.2 1.0 C A:ALA35 4.7 32.9 1.0 CA A:GLU36 4.7 35.7 1.0 N A:GLU36 4.9 33.2 1.0 NZ B:LYS115 4.9 54.6 1.0 CD A:GLU36 5.0 58.6 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Calcium (Low Concentration)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Calcium (Low Concentration) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl303 b:80.4 occ:1.00 OE1 C:GLU97 3.5 69.3 1.0 O C:HOH404 3.5 43.3 1.0 CD C:GLU97 3.5 59.1 1.0 CG C:GLU97 3.7 52.5 1.0 CD C:LYS94 3.7 39.2 1.0 O C:GLN93 4.1 30.6 1.0 CB C:GLN93 4.1 34.8 1.0 C C:GLN93 4.2 30.5 1.0 OE2 C:GLU97 4.2 57.4 1.0 N C:LYS94 4.4 31.6 1.0 CA C:LYS94 4.4 31.9 1.0 CG C:LYS94 4.6 36.0 1.0 NZ C:LYS94 4.8 46.5 1.0 CA C:GLN93 4.8 31.4 1.0 CE C:LYS94 4.8 47.4 1.0 OE1 C:GLN93 4.9 47.4 1.0

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