Chlorine in PDB 3cnv: Crystal Structure of the Ligand-Binding Domain of A Putative Gntr- Family Transcriptional Regulator From Bordetella Bronchiseptica

The structure of Crystal Structure of the Ligand-Binding Domain of A Putative Gntr- Family Transcriptional Regulator From Bordetella Bronchiseptica, PDB code: 3cnv was solved by M.D.Zimmerman, X.Xu, H.Cui, E.V.Filippova, A.Savchenko, A.M.Edwards, A.Joachimiak, W.Minor, Midwest Center For Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.91 / 2.00
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	58.196, 58.071, 65.580, 82.36, 86.52, 68.31
R / Rfree (%)	16.4 / 21.7

The binding sites of Chlorine atom in the Crystal Structure of the Ligand-Binding Domain of A Putative Gntr- Family Transcriptional Regulator From Bordetella Bronchiseptica (pdb code 3cnv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of the Ligand-Binding Domain of A Putative Gntr- Family Transcriptional Regulator From Bordetella Bronchiseptica, PDB code: 3cnv:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of the Ligand-Binding Domain of A Putative Gntr- Family Transcriptional Regulator From Bordetella Bronchiseptica


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 Ligand-Binding Domain of A Putative Gntr- Family Transcriptional Regulator From Bordetella Bronchiseptica within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1 b:16.7 occ:1.00 NH1 B:ARG119 3.1 22.9 1.0 O B:HOH306 3.2 17.6 1.0 CD B:ARG119 3.6 19.2 1.0 CG B:ARG119 3.9 16.1 1.0 CZ B:ARG119 4.2 22.4 1.0 NE B:ARG119 4.3 19.4 1.0 O B:ILE120 4.5 13.5 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of the Ligand-Binding Domain of A Putative Gntr- Family Transcriptional Regulator From Bordetella Bronchiseptica


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 Ligand-Binding Domain of A Putative Gntr- Family Transcriptional Regulator From Bordetella Bronchiseptica within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl2 b:17.6 occ:1.00 NH1 C:ARG119 3.2 20.9 1.0 CD C:ARG119 3.6 18.8 1.0 CG C:ARG119 4.0 17.3 1.0 CZ C:ARG119 4.2 22.7 1.0 NE C:ARG119 4.3 18.4 1.0 O C:ILE120 4.5 14.5 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of the Ligand-Binding Domain of A Putative Gntr- Family Transcriptional Regulator From Bordetella Bronchiseptica


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 Ligand-Binding Domain of A Putative Gntr- Family Transcriptional Regulator From Bordetella Bronchiseptica within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl3 b:28.2 occ:1.00 O B:HOH361 3.2 30.4 1.0 O D:HOH348 3.4 28.9 1.0 N D:ASN259 3.4 14.7 1.0 ND2 D:ASN259 3.4 17.9 1.0 N B:ASN259 3.5 14.8 1.0 ND2 B:ASN259 3.5 14.1 1.0 CB D:ASN259 3.7 17.4 1.0 CB B:ASN259 3.7 17.0 1.0 NH2 C:ARG104 4.0 22.4 1.0 NH2 A:ARG104 4.0 22.8 1.0 CG D:ASN259 4.1 18.0 1.0 O C:HOH314 4.1 28.8 1.0 CA D:ASN259 4.1 16.3 1.0 CG B:ASN259 4.1 14.8 1.0 CA B:ASN259 4.1 17.3 1.0 O B:HOH326 4.2 25.2 1.0 CA D:LEU258 4.3 15.6 1.0 C D:LEU258 4.3 14.4 1.0 CA B:LEU258 4.4 13.1 1.0 C B:LEU258 4.4 14.1 1.0 OXT D:ASN259 4.5 19.5 1.0 OXT B:ASN259 4.6 20.0 1.0 C D:ASN259 4.7 19.2 1.0 C B:ASN259 4.7 19.5 1.0 O D:SER257 4.9 14.3 1.0 O B:SER257 4.9 13.8 1.0 CB D:LEU258 5.0 15.4 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of the Ligand-Binding Domain of A Putative Gntr- Family Transcriptional Regulator From Bordetella Bronchiseptica


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 Ligand-Binding Domain of A Putative Gntr- Family Transcriptional Regulator From Bordetella Bronchiseptica within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl4 b:27.6 occ:1.00 O A:HOH372 3.1 33.9 1.0 ND2 A:ASN259 3.3 16.6 1.0 N A:ASN259 3.4 12.4 1.0 O C:HOH369 3.4 32.2 1.0 N C:ASN259 3.5 18.2 1.0 ND2 C:ASN259 3.5 19.8 1.0 CB A:ASN259 3.6 15.1 1.0 CB C:ASN259 3.7 21.1 1.0 O A:HOH317 3.8 26.3 1.0 NH2 B:ARG104 3.9 25.4 1.0 O C:HOH339 3.9 29.0 1.0 CG A:ASN259 4.0 16.5 1.0 NH2 D:ARG104 4.0 23.3 1.0 CA A:ASN259 4.1 14.7 1.0 CG C:ASN259 4.1 18.9 1.0 CA C:ASN259 4.1 20.3 1.0 CA A:LEU258 4.3 11.8 0.5 CA A:LEU258 4.3 11.7 0.5 C A:LEU258 4.4 11.8 1.0 CA C:LEU258 4.4 16.7 1.0 C C:LEU258 4.5 17.4 1.0 O A:ASN259 4.5 19.1 1.0 O C:ASN259 4.6 21.7 1.0 C A:ASN259 4.7 16.6 1.0 C C:ASN259 4.7 21.8 1.0 O A:SER257 4.9 10.0 1.0 CB A:LEU258 5.0 11.3 0.5 CB A:LEU258 5.0 11.0 0.5 O C:SER257 5.0 17.2 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of the Ligand-Binding Domain of A Putative Gntr- Family Transcriptional Regulator From Bordetella Bronchiseptica


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Ligand-Binding Domain of A Putative Gntr- Family Transcriptional Regulator From Bordetella Bronchiseptica within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl5 b:39.6 occ:1.00 N D:ILE120 3.1 14.9 1.0 CA D:ARG119 3.8 16.6 1.0 CG2 D:THR179 3.8 36.8 1.0 C D:ARG119 3.9 16.4 1.0 CG1 D:ILE120 4.1 17.1 1.0 CB D:ILE120 4.1 16.8 1.0 CA D:ILE120 4.1 15.5 1.0 CB D:THR179 4.2 36.0 1.0 O D:HOH371 4.4 41.9 1.0 CA D:THR179 4.4 35.9 1.0 O D:ILE120 4.5 14.5 1.0 O D:SER118 4.5 18.0 1.0 CB D:ARG119 4.5 18.6 1.0 CG D:ARG119 4.8 20.7 1.0 C D:ILE120 4.8 16.1 1.0 N D:ARG119 4.8 18.4 1.0 O D:HOH336 5.0 33.5 1.0

M.D.Zimmerman, X.Xu, H.Cui, E.V.Filippova, A.Savchenko, A.M.Edwards, W.Minor. Structure of the Ligand-Binding Domain of A Putative Gntr-Family Transcriptional Regulator From Bordetella Bronchiseptica. To Be Published.