Chlorine in PDB 4px8: Structure of P. Vulgaris Higb Toxin

The structure of Structure of P. Vulgaris Higb Toxin, PDB code: 4px8 was solved by M.A.Schureck, J.A.Dunkle, T.Maehigashi, C.M.Dunham, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.71 / 1.25
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	57.267, 31.297, 50.899, 90.00, 112.18, 90.00
R / Rfree (%)	15.5 / 18.9

The binding sites of Chlorine atom in the Structure of P. Vulgaris Higb Toxin (pdb code 4px8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of P. Vulgaris Higb Toxin, PDB code: 4px8:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of P. Vulgaris Higb Toxin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of P. Vulgaris Higb Toxin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:24.1 occ:1.00 NZ A:LYS11 3.0 16.0 1.0 O A:HOH328 3.0 24.8 1.0 N A:PHE5 3.1 11.2 1.0 O A:HOH391 3.3 40.4 1.0 O A:PHE5 3.7 14.0 1.0 CA A:SER4 3.7 10.8 1.0 CE A:LYS11 3.9 15.4 1.0 C A:SER4 3.9 9.5 1.0 O A:HOH381 4.0 37.8 1.0 CA A:PHE5 4.0 10.1 1.0 CD A:LYS11 4.0 13.8 1.0 CB A:SER4 4.0 11.2 1.0 CB A:PHE5 4.1 10.6 1.0 O A:HOH406 4.2 38.6 1.0 C A:PHE5 4.3 11.6 1.0 CD2 A:PHE5 4.4 11.7 1.0 CG A:PHE5 4.8 10.6 1.0 CG A:LYS11 4.8 12.4 1.0 OE2 A:GLU15 4.8 18.6 1.0 O A:LYS3 4.9 13.0 1.0 N A:SER4 4.9 11.3 1.0

Chlorine binding site 2 out of 4 in the Structure of P. Vulgaris Higb Toxin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of P. Vulgaris Higb Toxin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:26.0 occ:1.00 O A:HOH336 3.1 27.4 1.0 N A:ILE43 3.3 23.6 1.0 CB A:GLU42 3.5 28.4 1.0 CA A:GLU42 3.6 26.2 1.0 CG2 A:ILE43 3.9 22.9 1.0 C A:GLU42 4.0 25.4 1.0 O A:HOH354 4.1 30.3 1.0 CB A:ILE43 4.3 22.0 1.0 CD2 A:PHE78 4.4 16.6 1.0 CA A:ILE43 4.4 22.8 1.0 CE2 A:PHE78 4.5 17.7 1.0 O A:HOH344 4.7 39.0 1.0 CG A:GLU42 4.7 30.6 1.0 OE2 A:GLU42 4.7 34.7 1.0 N A:GLU42 5.0 25.3 1.0 O A:THR41 5.0 24.6 1.0

Chlorine binding site 3 out of 4 in the Structure of P. Vulgaris Higb Toxin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of P. Vulgaris Higb Toxin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:29.7 occ:1.00 O A:HOH392 2.6 44.7 1.0 O A:HOH360 3.1 25.1 1.0 O A:HOH395 3.5 44.0 1.0 CE A:LYS11 3.8 15.4 1.0 CD A:LYS11 3.8 13.8 1.0 CD2 A:LEU12 3.9 21.8 1.0 CE A:LYS8 4.0 26.1 1.0 CG A:LYS11 4.2 12.4 1.0 CG A:LEU12 4.2 20.7 1.0 CG A:LYS8 4.3 19.8 1.0 CD A:LYS8 4.7 23.2 1.0 CB A:LYS11 4.7 10.7 1.0 OE1 A:GLU15 4.8 18.1 1.0 NZ A:LYS8 4.9 28.6 1.0 N A:LEU12 4.9 11.2 1.0

Chlorine binding site 4 out of 4 in the Structure of P. Vulgaris Higb Toxin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of P. Vulgaris Higb Toxin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:39.0 occ:1.00 O A:HOH310 2.6 21.7 1.0 CD1 A:LEU12 3.6 22.0 1.0 O A:HOH323 3.9 20.0 1.0 N A:GLY9 3.9 11.4 1.0 CG A:LYS8 3.9 19.8 1.0 CD A:LYS8 4.0 23.2 1.0 CA A:GLY9 4.0 11.8 1.0 CB A:LYS8 4.1 16.4 1.0 CA A:GLY21 4.1 13.3 1.0 C A:LYS8 4.2 12.1 1.0 O A:HOH316 4.5 28.5 1.0 O A:LYS8 4.5 12.2 1.0 CE A:LYS8 4.6 26.1 1.0 CA A:LYS8 4.7 13.5 1.0 N A:GLY21 4.8 13.3 1.0 CG A:LEU12 4.9 20.7 1.0

M.A.Schureck, J.A.Dunkle, T.Maehigashi, S.J.Miles, C.M.Dunham. Defining the Mrna Recognition Signature of A Bacterial Toxin Protein. Proc.Natl.Acad.Sci.Usa V. 112 13862 2015.
ISSN: ISSN 0027-8424
PubMed: 26508639
DOI: 10.1073/PNAS.1512959112