Chlorine in PDB 5iwh: Structure of P. Vulgaris Higb Toxin Delta H92

The structure of Structure of P. Vulgaris Higb Toxin Delta H92, PDB code: 5iwh was solved by M.A.Schureck, A.A.Repack, S.J.Miles, J.Marquez, C.M.Dunham, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.97 / 1.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	55.776, 33.166, 51.492, 90.00, 115.49, 90.00
R / Rfree (%)	13.8 / 16.9

The binding sites of Chlorine atom in the Structure of P. Vulgaris Higb Toxin Delta H92 (pdb code 5iwh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of P. Vulgaris Higb Toxin Delta H92, PDB code: 5iwh:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of P. Vulgaris Higb Toxin Delta H92


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 Delta H92 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:11.7 occ:1.00 NZ A:LYS11 3.1 17.1 1.0 N A:PHE5 3.3 9.9 1.0 O A:HOH414 3.5 35.9 1.0 CA A:SER4 3.7 9.0 1.0 O A:HOH395 3.9 18.2 0.4 O A:PHE5 3.9 13.2 1.0 CB A:SER4 4.0 9.1 1.0 C A:SER4 4.0 8.3 1.0 CE A:LYS11 4.0 15.3 1.0 CA A:PHE5 4.2 10.4 1.0 CB A:PHE5 4.3 9.9 1.0 CD A:LYS11 4.3 13.0 1.0 CD2 A:PHE5 4.5 9.4 1.0 C A:PHE5 4.5 10.7 1.0 O A:HOH309 4.6 9.4 0.4 O A:LYS3 4.8 10.1 1.0 OE2 A:GLU15 4.9 15.5 1.0 CG A:PHE5 4.9 9.1 1.0 N A:SER4 4.9 9.1 1.0

Chlorine binding site 2 out of 2 in the Structure of P. Vulgaris Higb Toxin Delta H92


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 Delta H92 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:17.7 occ:1.00 OE1 A:GLU42 2.6 12.8 0.5 O A:HOH389 2.9 19.3 1.0 N A:ILE43 3.3 7.1 1.0 O A:HOH301 3.5 26.5 1.0 CA A:GLU42 3.7 7.4 0.5 CD A:GLU42 3.8 10.9 0.5 CA A:GLU42 3.9 7.7 0.5 CG2 A:ILE43 3.9 10.4 1.0 CB A:GLU42 3.9 7.8 0.5 C A:GLU42 4.1 6.9 1.0 CB A:ILE43 4.1 8.6 1.0 OE2 A:GLU42 4.2 16.1 0.5 CE2 A:PHE78 4.2 10.9 1.0 CD2 A:PHE78 4.3 9.6 1.0 CA A:ILE43 4.3 6.9 1.0 CG A:GLU42 4.5 9.1 0.5 CB A:GLU42 4.5 7.6 0.5 O A:THR41 4.6 8.9 1.0 OE2 A:GLU42 4.7 11.7 0.5 O A:HOH358 4.8 28.0 1.0 O A:HOH362 4.8 13.5 1.0 N A:GLU42 5.0 7.4 1.0

M.A.Schureck, A.Repack, S.J.Miles, J.Marquez, C.M.Dunham. Mechanism of Endonuclease Cleavage By the Higb Toxin. Nucleic Acids Res. V. 44 7944 2016.
ISSN: ESSN 1362-4962
PubMed: 27378776
DOI: 10.1093/NAR/GKW598