Chlorine in PDB 5e1z: Crystal Structure of the Organohalide Sensing Rdhr-CBDBA1625 Transcriptional Regulator in the 2,4-Dichlorophenol Bound Form

The structure of Crystal Structure of the Organohalide Sensing Rdhr-CBDBA1625 Transcriptional Regulator in the 2,4-Dichlorophenol Bound Form, PDB code: 5e1z was solved by C.P.Quezada, M.S.Dunstan, K.Fisher, D.Leys, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.62 / 1.66
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	71.660, 71.660, 87.520, 90.00, 90.00, 120.00
R / Rfree (%)	18.1 / 21.1

The binding sites of Chlorine atom in the Crystal Structure of the Organohalide Sensing Rdhr-CBDBA1625 Transcriptional Regulator in the 2,4-Dichlorophenol Bound Form (pdb code 5e1z). 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 Organohalide Sensing Rdhr-CBDBA1625 Transcriptional Regulator in the 2,4-Dichlorophenol Bound Form, PDB code: 5e1z:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of the Organohalide Sensing Rdhr-CBDBA1625 Transcriptional Regulator in the 2,4-Dichlorophenol Bound Form


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 Organohalide Sensing Rdhr-CBDBA1625 Transcriptional Regulator in the 2,4-Dichlorophenol Bound Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:33.4 occ:0.40 CL1 B:5JC201 0.0 33.4 0.4 CL2 B:5JC201 0.6 32.3 0.6 CAH B:5JC201 1.5 30.1 0.6 CAI B:5JC201 1.8 33.2 0.4 CAF B:5JC201 2.3 27.9 0.6 CAE B:5JC201 2.7 30.3 0.6 CAF B:5JC201 2.7 31.5 0.4 CAG B:5JC201 2.8 33.6 0.4 OAA B:5JC201 3.0 35.7 0.4 CAI B:5JC201 3.6 28.7 0.6 O B:HOH400 3.6 21.5 1.0 CAD B:5JC201 4.0 29.8 0.6 CAH B:5JC201 4.0 34.5 0.4 CAD B:5JC201 4.1 33.9 0.4 CAG B:5JC201 4.2 25.8 0.6 CZ B:PHE66 4.3 25.4 1.0 CE1 B:PHE66 4.4 26.2 1.0 CB B:ALA43 4.5 14.2 1.0 CG1 B:VAL65 4.5 18.2 1.0 CAE B:5JC201 4.6 28.4 0.4 CL1 B:5JC201 4.9 34.6 0.6 CG1 B:ILE64 4.9 22.6 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of the Organohalide Sensing Rdhr-CBDBA1625 Transcriptional Regulator in the 2,4-Dichlorophenol Bound Form


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 Organohalide Sensing Rdhr-CBDBA1625 Transcriptional Regulator in the 2,4-Dichlorophenol Bound Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:34.6 occ:0.60 CL1 B:5JC201 0.0 34.6 0.6 CL2 B:5JC201 0.7 38.2 0.4 CAI B:5JC201 1.7 28.7 0.6 CAH B:5JC201 1.7 34.5 0.4 CAF B:5JC201 2.3 31.5 0.4 CAG B:5JC201 2.6 25.8 0.6 OAA B:5JC201 2.6 25.1 0.6 CAF B:5JC201 2.7 27.9 0.6 O B:HOH367 2.7 27.8 1.0 CAE B:5JC201 2.9 28.4 0.4 O B:HOH302 3.6 35.4 1.0 CAI B:5JC201 3.6 33.2 0.4 OH B:TYR119 3.8 25.3 0.6 CAD B:5JC201 3.9 29.8 0.6 CAH B:5JC201 3.9 30.1 0.6 CD2 B:PHE42 4.0 17.8 1.0 CAD B:5JC201 4.1 33.9 0.4 CE2 B:PHE42 4.1 21.5 1.0 CAG B:5JC201 4.3 33.6 0.4 CAE B:5JC201 4.4 30.3 0.6 OH B:TYR119 4.7 14.7 0.4 CB B:ALA43 4.7 14.2 1.0 CZ B:TYR119 4.8 24.8 0.6 CA B:ALA43 4.8 16.1 1.0 CL1 B:5JC201 4.9 33.4 0.4

Chlorine binding site 3 out of 4 in the Crystal Structure of the Organohalide Sensing Rdhr-CBDBA1625 Transcriptional Regulator in the 2,4-Dichlorophenol Bound Form


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 Organohalide Sensing Rdhr-CBDBA1625 Transcriptional Regulator in the 2,4-Dichlorophenol Bound Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:38.2 occ:0.40 CL2 B:5JC201 0.0 38.2 0.4 CL1 B:5JC201 0.7 34.6 0.6 CAH B:5JC201 1.7 34.5 0.4 CAI B:5JC201 1.9 28.7 0.6 OAA B:5JC201 2.2 25.1 0.6 CAG B:5JC201 2.5 25.8 0.6 CAE B:5JC201 2.7 28.4 0.4 CAF B:5JC201 2.7 31.5 0.4 O B:HOH367 3.0 27.8 1.0 CAF B:5JC201 3.2 27.9 0.6 CE2 B:PHE42 3.5 21.5 1.0 CD2 B:PHE42 3.5 17.8 1.0 OH B:TYR119 3.6 25.3 0.6 O B:HOH302 3.7 35.4 1.0 CAD B:5JC201 3.8 29.8 0.6 CAD B:5JC201 4.0 33.9 0.4 CAI B:5JC201 4.0 33.2 0.4 CAH B:5JC201 4.3 30.1 0.6 CAG B:5JC201 4.4 33.6 0.4 CAE B:5JC201 4.5 30.3 0.6 ND1 B:HIS46 4.6 19.2 1.0 CA B:ALA43 4.7 16.1 1.0 CZ B:TYR119 4.7 24.8 0.6 CB B:ALA43 4.8 14.2 1.0 CZ B:PHE42 4.8 20.7 1.0 CG B:PHE42 4.9 16.7 1.0 OH B:TYR119 4.9 14.7 0.4 N B:ALA43 4.9 15.4 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of the Organohalide Sensing Rdhr-CBDBA1625 Transcriptional Regulator in the 2,4-Dichlorophenol Bound Form


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 Organohalide Sensing Rdhr-CBDBA1625 Transcriptional Regulator in the 2,4-Dichlorophenol Bound Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:32.3 occ:0.60 CL2 B:5JC201 0.0 32.3 0.6 CL1 B:5JC201 0.6 33.4 0.4 CAH B:5JC201 1.7 30.1 0.6 CAI B:5JC201 2.0 33.2 0.4 OAA B:5JC201 2.7 35.7 0.4 CAE B:5JC201 2.7 30.3 0.6 CAF B:5JC201 2.7 27.9 0.6 CAG B:5JC201 2.7 33.6 0.4 O B:HOH400 3.1 21.5 1.0 CAF B:5JC201 3.2 31.5 0.4 CAI B:5JC201 4.0 28.7 0.6 CAD B:5JC201 4.0 29.8 0.6 CZ B:PHE66 4.1 25.4 1.0 CAD B:5JC201 4.1 33.9 0.4 CE1 B:PHE66 4.1 26.2 1.0 CG1 B:VAL65 4.1 18.2 1.0 CG1 B:ILE64 4.3 22.6 1.0 CAH B:5JC201 4.4 34.5 0.4 CB B:ALA43 4.4 14.2 1.0 CAG B:5JC201 4.5 25.8 0.6 CAE B:5JC201 4.8 28.4 0.4 CE2 B:PHE66 4.9 26.7 1.0 N B:VAL65 5.0 17.3 1.0 CD1 B:ILE64 5.0 22.9 1.0

C.P.Quezada, M.S.Dunstan, K.Fisher, D.Leys. Crystal Structures of RDHRCBDBA1625 Provide Insight Into Sensing of Chloroaromatic Compounds By Marr-Type Regulators To Be Published.