Chlorine in PDB 5fs0: Crystal Structure of the Phenol-Responsive Sensory Domain of the Transcription Activator Poxr with 2,4-Dichlorophenol

The structure of Crystal Structure of the Phenol-Responsive Sensory Domain of the Transcription Activator Poxr with 2,4-Dichlorophenol, PDB code: 5fs0 was solved by V.V.Patil, E.J.Woo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.35 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.693, 70.872, 104.852, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 25.8

The structure of Crystal Structure of the Phenol-Responsive Sensory Domain of the Transcription Activator Poxr with 2,4-Dichlorophenol also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Phenol-Responsive Sensory Domain of the Transcription Activator Poxr with 2,4-Dichlorophenol (pdb code 5fs0). 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 the Phenol-Responsive Sensory Domain of the Transcription Activator Poxr with 2,4-Dichlorophenol, PDB code: 5fs0:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of the Phenol-Responsive Sensory Domain of the Transcription Activator Poxr with 2,4-Dichlorophenol


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 the Phenol-Responsive Sensory Domain of the Transcription Activator Poxr with 2,4-Dichlorophenol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1209 b:62.5 occ:1.00 CL1 A:5JC1209 0.0 62.5 1.0 CAI A:5JC1209 1.7 38.9 1.0 CAG A:5JC1209 2.7 33.6 1.0 CAF A:5JC1209 2.8 32.5 1.0 NE1 A:TRP130 2.8 37.1 1.0 H071 A:5JC1209 2.9 39.0 1.0 OAA A:5JC1209 2.9 32.9 1.0 CD1 A:ILE187 3.0 45.2 1.0 H031 A:5JC1209 3.3 39.5 1.0 CG A:PHE128 3.3 39.9 1.0 CB A:PHE128 3.4 41.6 1.0 CE2 A:TRP130 3.4 38.8 1.0 CG1 A:VAL110 3.6 40.6 1.0 CZ2 A:TRP130 3.7 36.2 1.0 CD1 A:PHE128 3.7 38.5 1.0 CD1 A:TRP130 3.8 31.7 1.0 CD2 A:PHE128 3.8 39.7 1.0 CG1 A:ILE187 4.0 40.1 1.0 CAH A:5JC1209 4.0 38.5 1.0 CAD A:5JC1209 4.1 34.5 1.0 CE1 A:PHE128 4.4 34.7 1.0 CE2 A:PHE128 4.5 39.8 1.0 CAE A:5JC1209 4.6 37.0 1.0 CD2 A:TRP130 4.6 37.7 1.0 CB A:ALA158 4.6 31.2 1.0 CZ A:PHE128 4.7 33.7 1.0 CG A:TRP130 4.7 35.4 1.0 CE2 A:TYR172 4.8 33.2 1.0 H061 A:5JC1209 4.8 41.3 1.0 CH2 A:TRP130 4.9 32.6 1.0 CB A:VAL110 4.9 42.5 1.0 CA A:PHE128 4.9 42.5 1.0 CG2 A:VAL110 4.9 40.7 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of the Phenol-Responsive Sensory Domain of the Transcription Activator Poxr with 2,4-Dichlorophenol


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 the Phenol-Responsive Sensory Domain of the Transcription Activator Poxr with 2,4-Dichlorophenol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1209 b:47.2 occ:1.00 CL2 A:5JC1209 0.0 47.2 1.0 CAH A:5JC1209 1.7 38.5 1.0 CAF A:5JC1209 2.6 32.5 1.0 H071 A:5JC1209 2.7 39.0 1.0 CAE A:5JC1209 2.8 37.0 1.0 H081 A:5JC1209 3.0 44.4 1.0 OG1 A:THR162 3.1 33.1 1.0 OH A:TYR172 3.4 33.5 1.0 CD2 A:LEU95 3.6 41.6 1.0 CD1 A:TYR161 3.8 29.9 1.0 CD A:PRO99 4.0 42.6 1.0 CAI A:5JC1209 4.0 38.9 1.0 CAD A:5JC1209 4.1 34.5 1.0 O A:LEU95 4.2 42.1 1.0 CD1 A:LEU95 4.3 38.3 1.0 CE1 A:TYR161 4.3 26.6 1.0 CZ A:TYR172 4.4 33.7 1.0 CB A:THR162 4.4 31.7 1.0 OH A:TYR124 4.4 37.3 1.0 O A:ALA158 4.5 31.1 1.0 CG A:PRO99 4.6 38.7 1.0 CAG A:5JC1209 4.6 33.6 1.0 CZ A:PHE128 4.6 33.7 1.0 CG A:LEU95 4.6 41.4 1.0 CG A:TYR161 4.6 28.9 1.0 CA A:GLY98 4.7 36.6 1.0 CB A:TYR161 4.8 27.0 1.0 N A:THR162 4.8 33.1 1.0 H061 A:5JC1209 4.9 41.3 1.0 CG2 A:THR162 4.9 34.0 1.0 CA A:ALA158 4.9 33.5 1.0 N A:PRO99 4.9 38.2 1.0 CA A:THR162 4.9 31.1 1.0 CE1 A:TYR172 5.0 31.7 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of the Phenol-Responsive Sensory Domain of the Transcription Activator Poxr with 2,4-Dichlorophenol


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 the Phenol-Responsive Sensory Domain of the Transcription Activator Poxr with 2,4-Dichlorophenol within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1210 b:51.4 occ:1.00 CL1 B:5JC1210 0.0 51.4 1.0 CAI B:5JC1210 1.7 37.7 1.0 CAG B:5JC1210 2.7 36.0 1.0 CAF B:5JC1210 2.8 32.3 1.0 H071 B:5JC1210 2.9 38.8 1.0 OAA B:5JC1210 3.0 37.2 1.0 H031 B:5JC1210 3.2 44.7 1.0 NE1 B:TRP130 3.3 35.1 1.0 CB B:PHE128 3.4 34.0 1.0 CG B:PHE128 3.4 35.2 1.0 CE2 B:TRP130 3.7 35.5 1.0 CZ2 B:TRP130 3.8 30.7 1.0 CD1 B:PHE128 3.8 34.1 1.0 CD2 B:PHE128 3.9 37.1 1.0 CAH B:5JC1210 4.0 38.9 1.0 CG2 B:ILE187 4.1 39.7 1.0 CAD B:5JC1210 4.1 34.1 1.0 CB B:ILE187 4.2 34.4 1.0 CD1 B:TRP130 4.2 32.0 1.0 CG1 B:VAL110 4.2 36.4 1.0 CB B:ALA158 4.3 31.8 1.0 CG1 B:ILE187 4.5 36.5 1.0 CE1 B:PHE128 4.6 34.6 1.0 CE2 B:TYR172 4.6 31.0 1.0 CAE B:5JC1210 4.6 34.5 1.0 CE2 B:PHE128 4.7 36.2 1.0 CD2 B:TRP130 4.8 31.6 1.0 CD2 B:TYR172 4.8 37.2 1.0 CD1 B:ILE187 4.8 40.5 1.0 CH2 B:TRP130 4.8 31.2 1.0 CA B:PHE128 4.9 35.9 1.0 H061 B:5JC1210 4.9 41.0 1.0 CZ B:PHE128 5.0 31.2 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of the Phenol-Responsive Sensory Domain of the Transcription Activator Poxr with 2,4-Dichlorophenol


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 the Phenol-Responsive Sensory Domain of the Transcription Activator Poxr with 2,4-Dichlorophenol within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1210 b:48.2 occ:1.00 CL2 B:5JC1210 0.0 48.2 1.0 CAH B:5JC1210 1.7 38.9 1.0 CAF B:5JC1210 2.7 32.3 1.0 H071 B:5JC1210 2.8 38.8 1.0 CAE B:5JC1210 2.8 34.5 1.0 H081 B:5JC1210 3.0 41.3 1.0 OG1 B:THR162 3.1 31.4 1.0 OH B:TYR172 3.3 34.6 1.0 CD2 B:LEU95 3.5 38.6 1.0 CD1 B:TYR161 3.9 30.1 1.0 CD B:PRO99 4.0 35.6 1.0 CAI B:5JC1210 4.1 37.7 1.0 CAD B:5JC1210 4.1 34.1 1.0 CZ B:TYR172 4.2 30.5 1.0 OH B:TYR124 4.3 36.9 1.0 CD1 B:LEU95 4.3 37.8 1.0 O B:LEU95 4.3 37.8 1.0 CE1 B:TYR161 4.4 30.1 1.0 CZ B:PHE128 4.4 31.2 1.0 O B:ALA158 4.5 32.4 1.0 CB B:THR162 4.5 31.6 1.0 CG B:PRO99 4.5 36.0 1.0 CG B:LEU95 4.5 35.5 1.0 CAG B:5JC1210 4.6 36.0 1.0 CG B:TYR161 4.7 32.6 1.0 CB B:ALA158 4.7 31.8 1.0 CA B:ALA158 4.7 36.9 1.0 CE2 B:PHE128 4.8 36.2 1.0 H061 B:5JC1210 4.9 41.0 1.0 CB B:TYR161 4.9 30.1 1.0 CE2 B:TYR172 4.9 31.0 1.0 N B:PRO99 4.9 31.8 1.0 CE1 B:TYR172 4.9 28.0 1.0 CG2 B:THR162 4.9 33.0 1.0 CA B:GLY98 4.9 35.5 1.0 N B:THR162 5.0 32.8 1.0 CE1 B:PHE128 5.0 34.6 1.0

V.V.Patil, K.Park, S.Lee, E.Woo. Structural Analysis of the Phenol-Responsive Sensory Domain of the Transcription Activator Poxr Structure V. 624 24 2016.
ISSN: ISSN 0969-2126
PubMed: 27050690
DOI: 10.1016/J.STR.2016.03.006