Chlorine in PDB 6rae: Structural Analysis of the Salmonella Type III Secretion System Atpase Invc

The structure of Structural Analysis of the Salmonella Type III Secretion System Atpase Invc, PDB code: 6rae was solved by I.Bernal, J.Roemermann, L.Flacht, M.Lunelli, C.Uetrecht, M.Kolbe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	92.05 / 2.05
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	106.292, 106.292, 73.500, 90.00, 90.00, 120.00
R / Rfree (%)	16.4 / 20.7

The binding sites of Chlorine atom in the Structural Analysis of the Salmonella Type III Secretion System Atpase Invc (pdb code 6rae). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structural Analysis of the Salmonella Type III Secretion System Atpase Invc, PDB code: 6rae:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structural Analysis of the Salmonella Type III Secretion System Atpase Invc


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structural Analysis of the Salmonella Type III Secretion System Atpase Invc within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:67.2 occ:1.00 NE A:ARG238 2.6 54.3 1.0 NH2 A:ARG238 2.7 56.6 1.0 OD1 A:ASP239 2.9 47.5 1.0 CZ A:ARG238 3.1 55.1 1.0 O A:GLU235 3.7 36.8 1.0 CB A:GLU235 3.7 32.7 1.0 CD A:ARG238 3.8 54.6 1.0 CG A:ASP239 3.8 48.9 1.0 CA A:GLU235 3.9 37.0 1.0 O A:HOH734 3.9 63.2 1.0 CG A:ARG238 4.0 36.6 1.0 CG A:GLU235 4.0 40.0 1.0 OD2 A:ASP239 4.1 48.4 1.0 CB A:ARG238 4.1 36.5 1.0 C A:GLU235 4.2 36.1 1.0 NH1 A:ARG238 4.4 39.8 1.0 N A:ASP239 4.6 40.3 1.0 CD A:GLU235 4.9 48.0 1.0 CB A:ASP239 5.0 40.4 1.0

Chlorine binding site 2 out of 2 in the Structural Analysis of the Salmonella Type III Secretion System Atpase Invc


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structural Analysis of the Salmonella Type III Secretion System Atpase Invc within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:0.5 occ:1.00 NH1 A:ARG395 2.6 1.0 1.0 NE A:ARG372 3.0 97.3 1.0 NH1 A:ARG372 3.1 0.3 1.0 CZ A:ARG372 3.5 0.0 1.0 CZ A:ARG395 3.6 0.9 1.0 NH2 A:ARG395 3.7 97.2 1.0 O A:ALA433 3.7 0.1 1.0 CD1 A:LEU369 4.0 54.6 1.0 CD A:ARG372 4.2 86.5 1.0 CB A:ARG372 4.4 67.0 1.0 NE A:ARG395 4.8 0.6 1.0 NH2 A:ARG372 4.8 0.2 1.0 C A:ALA433 4.8 0.8 1.0 CG A:ARG372 4.9 75.5 1.0

I.Bernal, J.Romermann, L.Flacht, M.Lunelli, C.Uetrecht, M.Kolbe. Structural Analysis of Ligand-Bound States of the Salmonella Type III Secretion System Atpase Invc. Protein Sci. V. 28 1888 2019.
ISSN: ESSN 1469-896X
PubMed: 31393998
DOI: 10.1002/PRO.3704