Chlorine in PDB 5tgn: Crystal Structure of Protein STHE_2403 From Sphaerobacter Thermophilus

The structure of Crystal Structure of Protein STHE_2403 From Sphaerobacter Thermophilus, PDB code: 5tgn was solved by K.Michalska, H.Li, S.Clancy, A.Joachimiak, Midwest Center For Structuralgenomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.63 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	90.178, 66.907, 90.635, 90.00, 101.41, 90.00
R / Rfree (%)	16.1 / 20.5

The binding sites of Chlorine atom in the Crystal Structure of Protein STHE_2403 From Sphaerobacter Thermophilus (pdb code 5tgn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Protein STHE_2403 From Sphaerobacter Thermophilus, PDB code: 5tgn:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Protein STHE_2403 From Sphaerobacter Thermophilus


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 Protein STHE_2403 From Sphaerobacter Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:22.6 occ:1.00 OH D:TYR10 3.0 20.5 1.0 NH1 A:ARG81 3.1 38.1 1.0 NE1 D:TRP89 3.3 19.1 1.0 NE A:ARG81 3.3 33.0 1.0 CZ A:ARG81 3.6 38.8 1.0 CE2 D:TYR10 3.6 20.0 1.0 CD1 D:ILE103 3.7 17.4 1.0 CZ D:TYR10 3.7 17.0 1.0 CE2 D:PHE49 4.1 17.3 1.0 CG1 D:VAL14 4.1 29.0 1.0 CD1 D:TRP89 4.1 19.6 1.0 CE2 D:TRP89 4.3 21.1 1.0 CD A:ARG81 4.5 29.4 1.0 CZ D:PHE49 4.5 20.2 1.0 CG2 D:VAL14 4.6 23.9 1.0 CZ2 D:TRP89 4.6 17.5 1.0 CD1 D:ILE50 4.7 25.0 0.5 CB D:VAL14 4.7 22.9 1.0 NH2 A:ARG81 4.9 31.2 1.0 CG1 D:ILE103 4.9 17.6 1.0 CD2 D:TYR10 4.9 16.4 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Protein STHE_2403 From Sphaerobacter Thermophilus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Protein STHE_2403 From Sphaerobacter Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:22.9 occ:1.00 OH A:TYR10 3.1 23.1 1.0 O3 A:GOL202 3.1 39.0 1.0 O B:HOH325 3.1 24.7 1.0 O A:HOH362 3.3 29.1 1.0 NE1 A:TRP89 3.3 16.2 1.0 CE2 A:TYR10 3.7 17.5 1.0 CZ A:TYR10 3.9 20.9 1.0 CD1 A:ILE103 3.9 17.6 1.0 CG1 A:VAL14 4.1 41.4 1.0 CD1 A:TRP89 4.2 16.8 1.0 CE2 A:TRP89 4.3 18.1 1.0 CG2 A:VAL14 4.3 29.2 1.0 C3 A:GOL202 4.3 43.4 1.0 O B:HOH345 4.5 42.6 1.0 NH1 B:ARG38 4.5 23.8 1.0 CZ2 A:TRP89 4.5 22.0 1.0 CE2 A:PHE49 4.6 17.7 1.0 CB A:VAL14 4.7 31.8 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Protein STHE_2403 From Sphaerobacter Thermophilus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Protein STHE_2403 From Sphaerobacter Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:28.8 occ:1.00 O A:HOH351 3.0 25.0 1.0 OH B:TYR10 3.1 26.8 1.0 NE1 B:TRP89 3.3 25.4 1.0 O B:HOH329 3.3 30.0 1.0 CE2 B:TYR10 3.8 26.5 1.0 CZ B:TYR10 3.9 25.3 1.0 CD1 B:ILE103 3.9 21.5 1.0 CD1 B:TRP89 4.2 22.4 1.0 CG1 B:VAL14 4.2 31.5 1.0 CE2 B:TRP89 4.3 25.4 1.0 CG2 B:VAL14 4.5 36.1 1.0 NH2 A:ARG38 4.5 19.6 1.0 CZ2 B:TRP89 4.6 23.7 1.0 CE2 B:PHE49 4.7 22.3 1.0 CD1 B:ILE50 4.7 24.4 0.5 CB B:VAL14 4.8 31.1 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Protein STHE_2403 From Sphaerobacter Thermophilus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Protein STHE_2403 From Sphaerobacter Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:23.8 occ:1.00 NE B:ARG81 3.1 31.1 1.0 OH C:TYR10 3.1 19.5 1.0 NE1 C:TRP89 3.1 16.6 1.0 NH2 B:ARG81 3.3 41.9 1.0 CZ B:ARG81 3.6 43.5 1.0 CD1 C:ILE103 3.7 17.2 1.0 CE2 C:TYR10 3.7 21.1 1.0 CZ C:TYR10 3.8 17.2 1.0 CG1 C:VAL14 4.0 36.1 1.0 CD1 C:TRP89 4.1 16.4 1.0 CE2 C:TRP89 4.1 17.6 1.0 CD B:ARG81 4.2 30.9 1.0 CG2 C:VAL14 4.2 34.1 1.0 CE2 C:PHE49 4.4 18.9 1.0 CZ2 C:TRP89 4.5 25.5 1.0 CG B:ARG81 4.6 29.4 1.0 CB C:VAL14 4.6 34.0 1.0 CD1 C:ILE50 4.6 42.8 1.0 CZ C:PHE49 4.8 19.6 1.0 CG1 C:ILE103 4.9 17.6 1.0 CD2 C:TYR10 4.9 17.1 1.0 NH1 B:ARG81 5.0 39.9 1.0

K.Michalska, H.Li, S.Clancy, A.Joachimiak, Midwest Center For Structural Genomics (Mcsg). Crystal Structure of Protein STHE_2403 From Sphaerobacter Thermophilus To Be Published.