Bromine in PDB 4ls4: Crystal Structure of L66S Mutant Toxin From Helicobacter Pylori

The structure of Crystal Structure of L66S Mutant Toxin From Helicobacter Pylori, PDB code: 4ls4 was solved by C.C.Pathak, H.Im, B.J.Lee, H.J.Yoon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.55 / 1.66
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	38.267, 47.792, 97.246, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 22.4

The binding sites of Bromine atom in the Crystal Structure of L66S Mutant Toxin From Helicobacter Pylori (pdb code 4ls4). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 9 binding sites of Bromine where determined in the Crystal Structure of L66S Mutant Toxin From Helicobacter Pylori, PDB code: 4ls4:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Bromine binding site 1 out of 9 in the Crystal Structure of L66S Mutant Toxin From Helicobacter Pylori


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of L66S Mutant Toxin From Helicobacter Pylori within 5.0Å range: probe atom residue distance (Å) B Occ A:Br101 b:8.1 occ:1.00 O A:HOH351 3.4 16.6 1.0 O B:HOH358 3.5 13.5 1.0 N B:SER85 3.7 12.4 1.0 N A:SER85 3.8 12.0 1.0 CB B:SER85 3.9 18.8 1.0 CB A:SER85 4.0 13.9 1.0 N B:HIS84 4.1 11.3 1.0 N A:HIS84 4.1 12.1 1.0 CB A:SER83 4.1 12.8 1.0 CB B:SER83 4.2 11.8 1.0 CB A:HIS84 4.3 12.7 1.0 CB B:HIS84 4.3 12.5 1.0 CA B:SER85 4.5 15.2 1.0 OG B:SER83 4.5 13.3 1.0 CA A:SER85 4.5 13.7 1.0 CA B:HIS84 4.5 12.3 1.0 CA A:HIS84 4.6 12.0 1.0 OG A:SER83 4.6 13.6 1.0 O B:PRO63 4.6 12.2 1.0 C B:HIS84 4.6 13.9 1.0 C A:HIS84 4.6 11.9 1.0 O A:PRO63 4.7 14.5 1.0 C B:SER83 4.8 11.3 1.0 C A:SER83 4.8 12.7 1.0 CA A:SER83 4.9 12.0 1.0 CA B:SER83 4.9 11.9 1.0

Bromine binding site 2 out of 9 in the Crystal Structure of L66S Mutant Toxin From Helicobacter Pylori


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of L66S Mutant Toxin From Helicobacter Pylori within 5.0Å range: probe atom residue distance (Å) B Occ A:Br102 b:37.8 occ:1.00 ND2 A:ASN20 3.9 22.3 1.0 CB A:ASN20 3.9 20.7 1.0 CD2 A:LEU17 4.1 21.6 1.0 O A:LYS16 4.1 16.5 1.0 CG A:LYS16 4.4 23.8 1.0 CG A:ASN20 4.4 24.6 1.0 CA A:LEU17 4.4 16.2 1.0 CE A:LYS16 4.5 33.0 1.0 C A:LYS16 4.6 18.6 1.0 N A:LEU17 4.7 17.4 1.0 CG A:LEU17 4.8 18.1 1.0 CD A:LYS16 4.9 28.6 1.0

Bromine binding site 3 out of 9 in the Crystal Structure of L66S Mutant Toxin From Helicobacter Pylori


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of L66S Mutant Toxin From Helicobacter Pylori within 5.0Å range: probe atom residue distance (Å) B Occ A:Br103 b:14.9 occ:1.00 O A:HOH296 3.5 25.8 1.0 O A:HOH286 3.5 18.6 1.0 O A:HOH298 3.9 25.8 1.0 CZ A:PHE56 4.1 12.6 1.0 NZ A:LYS72 4.1 24.2 1.0 CE A:LYS72 4.3 22.6 1.0 NZ A:LYS7 4.4 22.1 1.0 CD1 A:ILE77 4.4 11.2 1.0 CE A:LYS7 4.4 23.7 1.0 CD2 A:LEU70 4.7 11.6 1.0 CG2 A:ILE77 4.7 12.0 1.0 CE2 A:PHE56 5.0 13.1 1.0 CE1 A:PHE56 5.0 12.2 1.0

Bromine binding site 4 out of 9 in the Crystal Structure of L66S Mutant Toxin From Helicobacter Pylori


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of L66S Mutant Toxin From Helicobacter Pylori within 5.0Å range: probe atom residue distance (Å) B Occ A:Br104 b:20.0 occ:1.00 O A:HOH294 3.4 20.5 1.0 O A:ASP73 3.8 12.7 1.0 C A:ASP73 4.1 12.2 1.0 CA A:ASP73 4.1 13.2 1.0 CB A:ASP73 4.2 16.6 1.0 CG A:ASP73 4.9 20.9 1.0 OD1 A:ASP73 4.9 20.7 1.0

Bromine binding site 5 out of 9 in the Crystal Structure of L66S Mutant Toxin From Helicobacter Pylori


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Crystal Structure of L66S Mutant Toxin From Helicobacter Pylori within 5.0Å range: probe atom residue distance (Å) B Occ A:Br105 b:63.8 occ:1.00 O A:HOH360 3.5 43.6 1.0 CD A:PRO63 3.8 16.9 1.0 OD1 A:ASP64 3.8 20.1 1.0 O B:HOH328 4.0 22.6 1.0 CG A:ASP64 4.2 18.7 1.0 NZ A:LYS62 4.2 29.4 1.0 CB A:PRO63 4.2 15.3 1.0 CG A:PRO63 4.2 16.6 1.0 N A:PRO63 4.3 15.3 1.0 N A:ASP64 4.4 14.1 1.0 CB A:LYS62 4.4 22.5 1.0 CD A:LYS62 4.5 27.9 1.0 OD2 A:ASP64 4.5 25.8 1.0 CE A:LYS62 4.8 32.7 1.0 CA A:PRO63 4.8 15.4 1.0 CB A:ASP64 4.9 17.4 1.0 C A:PRO63 5.0 14.2 1.0

Bromine binding site 6 out of 9 in the Crystal Structure of L66S Mutant Toxin From Helicobacter Pylori


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Crystal Structure of L66S Mutant Toxin From Helicobacter Pylori within 5.0Å range: probe atom residue distance (Å) B Occ B:Br101 b:19.0 occ:1.00 NZ B:LYS16 3.5 34.5 1.0 O B:HOH363 3.9 43.2 1.0 CE B:LYS16 3.9 32.6 1.0

Bromine binding site 7 out of 9 in the Crystal Structure of L66S Mutant Toxin From Helicobacter Pylori


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Crystal Structure of L66S Mutant Toxin From Helicobacter Pylori within 5.0Å range: probe atom residue distance (Å) B Occ B:Br102 b:31.5 occ:1.00 CD2 B:LEU17 2.8 19.6 1.0 O B:HOH352 3.6 32.8 1.0 CB B:ASN20 3.8 21.0 1.0 O B:HOH246 3.9 21.0 1.0 CB B:PHE22 3.9 12.6 1.0 CG2 B:VAL65 4.1 11.3 1.0 ND2 B:ASN20 4.1 24.8 1.0 NZ B:LYS62 4.1 30.4 1.0 O B:HOH279 4.1 31.9 1.0 CD1 B:PHE22 4.2 15.2 1.0 CG B:LEU17 4.3 18.4 1.0 CA B:PHE22 4.3 12.8 1.0 N B:PHE22 4.4 13.8 1.0 CG B:PHE22 4.5 14.8 1.0 O B:LEU17 4.5 12.6 1.0 CG B:ASN20 4.5 22.9 1.0 CD1 B:LEU17 4.8 17.2 1.0 O B:ASN20 4.8 20.3 1.0 OD2 B:ASP64 4.9 18.9 1.0 C B:ASN20 4.9 20.9 1.0 CA B:ASN20 5.0 18.9 1.0

Bromine binding site 8 out of 9 in the Crystal Structure of L66S Mutant Toxin From Helicobacter Pylori


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Crystal Structure of L66S Mutant Toxin From Helicobacter Pylori within 5.0Å range: probe atom residue distance (Å) B Occ B:Br103 b:14.5 occ:1.00 O B:HOH344 3.1 29.0 1.0 CB B:ASP73 3.7 21.8 1.0 CA B:ASP73 3.8 20.0 1.0 C B:ASP73 3.9 16.6 1.0 N B:ASP74 4.0 15.5 1.0 O B:ASP73 4.4 16.9 1.0 CG B:ASP73 4.5 22.1 1.0 CB B:ASP74 4.6 18.6 1.0 OD1 B:ASP73 4.6 25.7 1.0 CA B:ASP74 4.7 16.2 1.0

Bromine binding site 9 out of 9 in the Crystal Structure of L66S Mutant Toxin From Helicobacter Pylori


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Crystal Structure of L66S Mutant Toxin From Helicobacter Pylori within 5.0Å range: probe atom residue distance (Å) B Occ B:Br104 b:10.9 occ:1.00 CG B:LYS37 3.9 16.7 1.0 CE B:LYS37 4.0 17.6 1.0 CB B:LYS37 4.5 16.4 1.0 CD B:LYS37 4.5 16.5 1.0

C.Pathak, H.Im, Y.J.Yang, H.J.Yoon, H.M.Kim, A.R.Kwon, B.J.Lee. Crystal Structure of Apo and Copper Bound HP0894 Toxin From Helicobacter Pylori 26695 and Insight Into Mrnase Activity Biochim.Biophys.Acta V.1834 2579 2013.
ISSN: ISSN 0006-3002
PubMed: 24060809
DOI: 10.1016/J.BBAPAP.2013.09.006