Chlorine in PDB 8kb2: Crystal Structure of M- and C-Domains of the Shaft Pilin Lrpa From Ligilactobacillus Ruminis - Iodide Derivative

The structure of Crystal Structure of M- and C-Domains of the Shaft Pilin Lrpa From Ligilactobacillus Ruminis - Iodide Derivative, PDB code: 8kb2 was solved by A.Prajapati, 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)	39.58 / 1.91
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.903, 50.898, 125.623, 90, 90, 90
R / Rfree (%)	17.9 / 21.1

The structure of Crystal Structure of M- and C-Domains of the Shaft Pilin Lrpa From Ligilactobacillus Ruminis - Iodide Derivative also contains other interesting chemical elements:

Sodium	(Na)	2 atoms
Iodine	(I)	13 atoms

The binding sites of Chlorine atom in the Crystal Structure of M- and C-Domains of the Shaft Pilin Lrpa From Ligilactobacillus Ruminis - Iodide Derivative (pdb code 8kb2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of M- and C-Domains of the Shaft Pilin Lrpa From Ligilactobacillus Ruminis - Iodide Derivative, PDB code: 8kb2:

Chlorine binding site 1 out of 1 in the Crystal Structure of M- and C-Domains of the Shaft Pilin Lrpa From Ligilactobacillus Ruminis - Iodide Derivative


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 M- and C-Domains of the Shaft Pilin Lrpa From Ligilactobacillus Ruminis - Iodide Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl516 b:32.4 occ:0.75 N A:THR400 3.3 16.8 1.0 CA A:LYS399 3.8 14.8 1.0 O A:THR400 3.8 18.0 1.0 O A:HOH625 3.9 29.5 1.0 CD A:LYS399 4.0 18.0 1.0 C A:LYS399 4.0 15.7 1.0 O A:HOH681 4.1 32.2 1.0 CA A:THR400 4.2 19.4 1.0 CB A:LYS399 4.2 14.9 1.0 CB A:THR400 4.2 22.9 1.0 C A:THR400 4.5 19.1 1.0 OG1 A:THR400 4.6 21.7 1.0 O A:THR398 4.6 16.4 1.0 CG A:LYS399 4.7 15.7 1.0 N A:LYS399 5.0 14.8 1.0

A.Prajapati, A.Palva, I.Von Ossowski, V.Krishnan. The Crystal Structure of the N-Terminal Domain of the Backbone Pilin Lrpa Reveals A New Closure-and-Twist Motion For Assembling Dynamic Pili in Ligilactobacillus Ruminis. Acta Crystallogr D Struct 2024BIOL.
ISSN: ISSN 2059-7983
PubMed: 38935340
DOI: 10.1107/S2059798324005114