Iodine in PDB 7bvx: Crystal Structure of C-Terminal Fragment of Pilus Adhesin Spac From Lactobacillus Rhamnosus Gg-Iodide Soaked

The structure of Crystal Structure of C-Terminal Fragment of Pilus Adhesin Spac From Lactobacillus Rhamnosus Gg-Iodide Soaked, PDB code: 7bvx was solved by A.Kant, A.Palva, I.Von Ossowski, V.Krishnan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	57.46 / 3.36
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	60.045, 114.919, 122.240, 90.00, 90.00, 90.00
R / Rfree (%)	30.5 / 34.6

The binding sites of Iodine atom in the Crystal Structure of C-Terminal Fragment of Pilus Adhesin Spac From Lactobacillus Rhamnosus Gg-Iodide Soaked (pdb code 7bvx). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 6 binding sites of Iodine where determined in the Crystal Structure of C-Terminal Fragment of Pilus Adhesin Spac From Lactobacillus Rhamnosus Gg-Iodide Soaked, PDB code: 7bvx:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6;

Iodine binding site 1 out of 6 in the Crystal Structure of C-Terminal Fragment of Pilus Adhesin Spac From Lactobacillus Rhamnosus Gg-Iodide Soaked


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of C-Terminal Fragment of Pilus Adhesin Spac From Lactobacillus Rhamnosus Gg-Iodide Soaked within 5.0Å range: probe atom residue distance (Å) B Occ A:I901 b:0.7 occ:0.96 N A:ALA635 4.0 0.8 1.0 CB A:ALA635 4.1 0.4 1.0 CA A:GLN634 4.5 0.0 1.0 O A:GLN633 4.6 0.3 1.0 CA A:ALA635 4.7 0.9 1.0 O A:ALA635 4.7 0.6 1.0 C A:GLN634 4.8 0.1 1.0

Iodine binding site 2 out of 6 in the Crystal Structure of C-Terminal Fragment of Pilus Adhesin Spac From Lactobacillus Rhamnosus Gg-Iodide Soaked


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of C-Terminal Fragment of Pilus Adhesin Spac From Lactobacillus Rhamnosus Gg-Iodide Soaked within 5.0Å range: probe atom residue distance (Å) B Occ A:I902 b:0.8 occ:0.81 CA A:ALA660 4.4 0.9 1.0 CB A:ALA660 4.5 0.6 1.0 O A:ALA659 4.5 0.4 1.0 N A:ALA661 4.8 0.9 1.0 O A:ALA661 4.9 0.6 1.0

Iodine binding site 3 out of 6 in the Crystal Structure of C-Terminal Fragment of Pilus Adhesin Spac From Lactobacillus Rhamnosus Gg-Iodide Soaked


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of C-Terminal Fragment of Pilus Adhesin Spac From Lactobacillus Rhamnosus Gg-Iodide Soaked within 5.0Å range: probe atom residue distance (Å) B Occ A:I903 b:0.9 occ:0.42 O A:SER636 3.3 0.2 1.0 CA A:LYS637 3.5 0.5 1.0 C A:LYS637 3.6 0.1 1.0 N A:THR638 3.6 0.9 1.0 C A:SER636 3.8 0.9 1.0 N A:LYS637 3.9 0.8 1.0 CB A:THR638 4.0 0.5 1.0 O A:ALA635 4.2 0.6 1.0 O A:LYS637 4.3 0.9 1.0 OG1 A:THR638 4.3 0.5 1.0 CA A:THR638 4.4 0.4 1.0 C A:ALA635 4.8 0.3 1.0 CB A:LYS637 4.8 91.3 1.0 CA A:SER636 4.9 0.5 1.0 O A:THR638 5.0 0.7 1.0

Iodine binding site 4 out of 6 in the Crystal Structure of C-Terminal Fragment of Pilus Adhesin Spac From Lactobacillus Rhamnosus Gg-Iodide Soaked


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of C-Terminal Fragment of Pilus Adhesin Spac From Lactobacillus Rhamnosus Gg-Iodide Soaked within 5.0Å range: probe atom residue distance (Å) B Occ A:I904 b:0.1 occ:0.50 CB A:GLN666 3.2 0.3 1.0 OE1 A:GLN666 3.2 0.3 1.0 CD A:GLN666 3.5 0.6 1.0 CG A:GLN666 3.8 0.2 1.0 CA A:GLN666 4.2 0.2 1.0 NE2 A:GLN666 4.3 0.1 1.0 CD A:PRO733 4.5 0.6 1.0 O A:THR812 4.7 0.5 1.0 O A:THR811 4.8 0.3 1.0 CG A:PRO733 4.9 0.5 1.0 N A:GLN666 5.0 0.3 1.0

Iodine binding site 5 out of 6 in the Crystal Structure of C-Terminal Fragment of Pilus Adhesin Spac From Lactobacillus Rhamnosus Gg-Iodide Soaked


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Crystal Structure of C-Terminal Fragment of Pilus Adhesin Spac From Lactobacillus Rhamnosus Gg-Iodide Soaked within 5.0Å range: probe atom residue distance (Å) B Occ A:I906 b:0.4 occ:0.38 O A:THR663 3.9 0.3 1.0 CA A:GLY664 4.2 0.4 1.0 C A:THR663 4.6 0.9 1.0 CB A:VAL782 4.7 0.6 1.0 N A:GLY664 4.7 0.7 1.0

Iodine binding site 6 out of 6 in the Crystal Structure of C-Terminal Fragment of Pilus Adhesin Spac From Lactobacillus Rhamnosus Gg-Iodide Soaked


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Crystal Structure of C-Terminal Fragment of Pilus Adhesin Spac From Lactobacillus Rhamnosus Gg-Iodide Soaked within 5.0Å range: probe atom residue distance (Å) B Occ A:I907 b:0.1 occ:0.33 CB A:ASP615 3.2 0.3 1.0 OG1 A:THR663 3.8 0.5 1.0 CA A:ASP615 4.6 0.9 1.0 CB A:THR663 4.7 0.1 1.0 O A:ASP615 4.9 0.3 1.0

A.Kant, A.Palva, I.Von Ossowski, V.Krishnan. Crystal Structure of Lactobacillar Spac Reveals An Atypical Five-Domain Pilus Tip Adhesin: Exposing Its Substrate-Binding and Assembly in Spacba Pili. J.Struct.Biol. V. 211 07571 2020.
ISSN: ESSN 1095-8657
PubMed: 32653644
DOI: 10.1016/J.JSB.2020.107571