Barium in PDB 8ot7: Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Barium

The structure of Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Barium, PDB code: 8ot7 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)	60.83 / 3.30
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	70.237, 70.237, 73.568, 90, 90, 120
R / Rfree (%)	18.7 / 29.9

The binding sites of Barium atom in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Barium (pdb code 8ot7). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total 8 binding sites of Barium where determined in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Barium, PDB code: 8ot7:
Jump to Barium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Barium binding site 1 out of 8 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Barium


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Barium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba301 b:171.6 occ:1.00 O A:GLN48 3.3 240.0 1.0 OD2 A:ASP50 3.6 178.1 1.0 OD1 A:ASP50 3.7 189.0 1.0 OE1 A:GLN48 3.7 141.7 1.0 O A:GLY49 3.9 193.0 1.0 CG A:ASP50 4.0 169.7 1.0 C A:GLN48 4.4 205.5 1.0 CD A:GLN48 4.4 164.6 1.0 C A:GLY49 4.5 173.8 1.0 CA A:GLY49 4.8 167.3 1.0 N A:GLY49 5.0 183.3 1.0

Barium binding site 2 out of 8 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Barium


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 2 of Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Barium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba302 b:142.4 occ:0.50 OD2 A:ASP18 3.1 179.5 1.0 CG A:ASP18 4.1 199.9 1.0 OE1 A:GLN48 4.3 141.7 1.0 OD1 A:ASP18 4.3 188.2 1.0

Barium binding site 3 out of 8 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Barium


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 3 of Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Barium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba303 b:176.0 occ:1.00 OD1 A:ASP52 3.0 175.8 1.0 OD2 A:ASP52 3.7 207.6 1.0 CG A:ASP52 3.8 183.5 1.0 OE2 A:GLU53 3.8 152.9 1.0

Barium binding site 4 out of 8 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Barium


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 4 of Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Barium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba304 b:131.6 occ:0.60 NE2 A:GLN82 2.8 168.8 1.0 CD A:GLN82 3.6 155.8 1.0 OD1 A:ASP52 3.6 175.8 1.0 CG A:ASP52 3.7 183.5 1.0 OD2 A:ASP52 3.8 207.6 1.0 OE1 A:GLN82 3.9 164.9 1.0 CB A:ASP52 4.2 182.3 1.0 CG A:GLN82 4.7 144.4 1.0

Barium binding site 5 out of 8 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Barium


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 5 of Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Barium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba305 b:116.8 occ:1.00 O A:ARG67 2.8 148.8 1.0 C A:ARG67 3.9 142.6 1.0 CG A:ARG67 4.4 154.2 1.0 CA A:SER68 4.5 125.8 1.0 N A:SER68 4.5 141.3 1.0 N A:ALA69 4.6 104.5 1.0 OE2 A:GLU70 4.6 142.1 1.0 CB A:ARG67 4.7 145.9 1.0 OD2 A:ASP65 4.9 118.6 1.0 CA A:ARG67 4.9 134.8 1.0

Barium binding site 6 out of 8 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Barium


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 6 of Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Barium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba306 b:181.1 occ:1.00 OD1 A:ASP186 3.4 167.1 1.0 OD2 A:ASP186 3.6 137.3 1.0 OE1 A:GLN184 3.7 167.6 1.0 CG A:ASP186 3.9 163.3 1.0 O A:GLN184 3.9 197.4 1.0 CD A:GLN184 4.7 174.5 1.0 O A:GLY185 5.0 195.7 1.0

Barium binding site 7 out of 8 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Barium


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 7 of Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Barium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba307 b:195.4 occ:1.00 OD2 A:ASP188 3.2 161.8 1.0 OD1 A:ASP188 3.9 166.9 1.0 CG A:ASP188 3.9 167.5 1.0 OE2 A:GLU189 4.1 163.9 1.0 CG A:GLU189 4.8 150.9 1.0 CD A:GLU189 5.0 166.1 1.0

Barium binding site 8 out of 8 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Barium


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 8 of Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Barium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba308 b:164.9 occ:1.00 OE1 A:GLN218 2.6 154.4 1.0 OD1 A:ASP188 3.0 166.9 1.0 CD A:GLN218 3.8 156.2 1.0 CG A:ASP188 3.9 167.5 1.0 CB A:ASP188 4.5 173.6 1.0 NE2 A:GLN218 4.6 176.9 1.0 OD2 A:ASP188 4.7 161.8 1.0 CB A:GLN218 4.7 126.3 1.0 CG A:GLN218 4.8 128.5 1.0

M.Liutkus, I.R.Sasselli, A.L.Rojas, A.L.Cortajarena. Diverse Crystalline Protein Scaffolds Through Metal-Dependent Polymorphism. Protein Sci. V. 33 E4971 2024.
ISSN: ESSN 1469-896X
PubMed: 38591647
DOI: 10.1002/PRO.4971