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

Protein crystallography data

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

Chlorine Binding Sites:

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 3cnv

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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 3cnv

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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 3cnv

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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 3cnv

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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 3cnv

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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

Reference:

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.
Page generated: Fri Jul 11 04:09:32 2025

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