Chlorine in PDB 3clo: Crystal Structure of Putative Transcriptional Regulator Containing A Luxr Dna Binding Domain (NP_811094.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.04 A Resolution

The structure of Crystal Structure of Putative Transcriptional Regulator Containing A Luxr Dna Binding Domain (NP_811094.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.04 A Resolution, PDB code: 3clo was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.45 / 2.04
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	233.650, 233.650, 125.273, 90.00, 90.00, 120.00
R / Rfree (%)	18.7 / 21.7

The structure of Crystal Structure of Putative Transcriptional Regulator Containing A Luxr Dna Binding Domain (NP_811094.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.04 A Resolution also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Putative Transcriptional Regulator Containing A Luxr Dna Binding Domain (NP_811094.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.04 A Resolution (pdb code 3clo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of Putative Transcriptional Regulator Containing A Luxr Dna Binding Domain (NP_811094.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.04 A Resolution, PDB code: 3clo:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the Crystal Structure of Putative Transcriptional Regulator Containing A Luxr Dna Binding Domain (NP_811094.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.04 A Resolution


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 Putative Transcriptional Regulator Containing A Luxr Dna Binding Domain (NP_811094.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.04 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl258 b:36.9 occ:1.00 NZ A:LYS215 3.0 54.2 1.0 CE A:LYS215 3.7 47.4 1.0 CD A:LYS215 4.0 48.6 1.0 O A:HOH420 4.2 55.4 1.0 O A:HOH370 4.8 49.7 1.0

Chlorine binding site 2 out of 7 in the Crystal Structure of Putative Transcriptional Regulator Containing A Luxr Dna Binding Domain (NP_811094.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.04 A Resolution


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 Putative Transcriptional Regulator Containing A Luxr Dna Binding Domain (NP_811094.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.04 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl259 b:42.2 occ:1.00 OG1 A:THR227 3.1 36.6 1.0 N A:SER224 3.3 36.6 1.0 O A:HOH375 3.3 48.9 1.0 OG A:SER224 3.6 35.9 1.0 CA A:ILE223 3.7 39.0 1.0 CB A:ILE223 3.7 38.3 1.0 CB A:THR227 3.8 39.2 1.0 C A:ILE223 3.9 37.3 1.0 CB A:SER224 4.1 32.2 1.0 CG2 A:ILE223 4.1 34.9 1.0 CG2 A:THR227 4.2 38.1 1.0 CA A:SER224 4.3 34.5 1.0 O A:HOH297 4.9 37.9 1.0 N A:ILE223 5.0 39.8 1.0

Chlorine binding site 3 out of 7 in the Crystal Structure of Putative Transcriptional Regulator Containing A Luxr Dna Binding Domain (NP_811094.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.04 A Resolution


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 Putative Transcriptional Regulator Containing A Luxr Dna Binding Domain (NP_811094.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.04 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl260 b:50.1 occ:1.00 O B:HOH293 3.1 42.9 1.0 NE2 A:GLN136 3.2 43.0 1.0 O B:HOH347 3.4 52.1 1.0 N A:PHE65 3.4 37.6 1.0 O A:HOH394 3.6 53.2 1.0 CA A:PHE65 3.6 38.9 1.0 C A:ASN64 3.7 38.0 1.0 CA B:GLY182 3.9 39.6 1.0 CB A:ASN64 3.9 38.1 1.0 O A:ASN64 4.0 38.1 1.0 ND2 A:ASN130 4.0 41.2 1.0 CB A:ASN130 4.1 42.5 1.0 CB A:PHE65 4.1 38.4 1.0 CD A:GLN136 4.1 40.5 1.0 OE1 A:GLN136 4.1 50.7 1.0 N B:GLY182 4.2 39.6 1.0 O B:ARG181 4.2 40.9 1.0 CA A:ASN64 4.4 37.3 1.0 C B:ARG181 4.4 38.9 1.0 O B:GLU180 4.5 40.0 1.0 CG A:ASN130 4.6 43.5 1.0 C B:GLY182 4.9 39.9 1.0 O B:GLY182 4.9 42.6 1.0 N A:ASN64 5.0 38.0 1.0

Chlorine binding site 4 out of 7 in the Crystal Structure of Putative Transcriptional Regulator Containing A Luxr Dna Binding Domain (NP_811094.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.04 A Resolution


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 Putative Transcriptional Regulator Containing A Luxr Dna Binding Domain (NP_811094.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.04 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl258 b:43.7 occ:1.00 O A:HOH319 3.2 40.7 1.0 O B:HOH324 3.3 50.4 1.0 O A:HOH276 3.3 35.5 1.0 OE1 B:GLN136 3.4 44.9 1.0 N B:PHE65 3.6 38.6 1.0 OE2 B:GLU131 3.7 57.4 1.0 C B:ASN64 3.8 36.9 1.0 CA B:PHE65 3.8 38.6 1.0 CA A:GLY182 3.8 39.0 1.0 CB B:ASN64 4.0 36.1 1.0 O B:ASN64 4.0 37.1 1.0 ND2 B:ASN130 4.1 43.1 1.0 NE2 B:GLN136 4.2 43.2 1.0 N A:GLY182 4.2 39.2 1.0 CD B:GLN136 4.2 39.6 1.0 O A:ARG181 4.2 37.7 1.0 CB B:PHE65 4.3 37.9 1.0 C A:ARG181 4.3 38.4 1.0 CB B:ASN130 4.4 39.3 1.0 CA B:ASN64 4.4 36.4 1.0 O A:HOH372 4.5 47.2 1.0 CG B:ASN130 4.7 40.3 1.0 O A:GLU180 4.7 37.2 1.0 CD B:GLU131 4.8 63.0 1.0 C A:GLY182 4.9 40.1 1.0 O A:HOH304 5.0 39.5 1.0 O A:GLY182 5.0 40.1 1.0

Chlorine binding site 5 out of 7 in the Crystal Structure of Putative Transcriptional Regulator Containing A Luxr Dna Binding Domain (NP_811094.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.04 A Resolution


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 Putative Transcriptional Regulator Containing A Luxr Dna Binding Domain (NP_811094.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.04 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl259 b:66.6 occ:1.00 O B:HOH327 3.2 48.6 1.0 OE2 B:GLU169 3.2 61.3 1.0 NE B:ARG125 3.4 55.5 1.0 NH2 A:ARG167 3.9 38.1 1.0 CB B:TYR173 3.9 36.4 1.0 CD B:ARG125 4.0 46.0 1.0 CG B:TYR173 4.1 39.4 1.0 CD2 B:TYR173 4.1 41.5 1.0 CZ B:ARG125 4.2 49.7 1.0 NH2 B:ARG125 4.3 58.7 1.0 CB B:ARG125 4.3 38.8 1.0 O B:HOH269 4.4 37.0 1.0 CD B:GLU169 4.5 59.3 1.0 OD2 B:ASP165 4.5 39.8 1.0 O B:HOH305 4.6 45.8 1.0 OD2 A:ASP165 4.7 44.7 1.0 CG B:ARG125 4.8 38.5 1.0 CE2 B:TYR173 5.0 37.2 1.0 CD1 B:TYR173 5.0 40.8 1.0

Chlorine binding site 6 out of 7 in the Crystal Structure of Putative Transcriptional Regulator Containing A Luxr Dna Binding Domain (NP_811094.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.04 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Putative Transcriptional Regulator Containing A Luxr Dna Binding Domain (NP_811094.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.04 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl260 b:32.0 occ:1.00 NE2 C:GLN136 3.3 31.1 1.0 O C:HOH281 3.3 29.2 1.0 N C:PHE65 3.6 31.6 1.0 C C:ASN64 3.8 31.9 1.0 ND2 C:ASN130 3.8 37.9 1.0 CA C:PHE65 3.8 34.1 1.0 CB C:ASN64 3.9 33.2 1.0 O C:ASN64 4.0 29.9 1.0 CD C:GLN136 4.2 36.5 1.0 CB C:ASN130 4.2 35.7 1.0 OE1 C:GLN136 4.3 39.0 1.0 CB C:PHE65 4.4 30.6 1.0 CA C:ASN64 4.5 34.1 1.0 CG C:ASN130 4.5 38.0 1.0 O C:HOH283 4.7 30.8 1.0

Chlorine binding site 7 out of 7 in the Crystal Structure of Putative Transcriptional Regulator Containing A Luxr Dna Binding Domain (NP_811094.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.04 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Putative Transcriptional Regulator Containing A Luxr Dna Binding Domain (NP_811094.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.04 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl261 b:54.6 occ:1.00 N C:MSE81 3.5 40.3 1.0 O C:MSE81 3.5 47.2 1.0 CA C:ASP79 3.6 39.9 1.0 O C:HOH400 3.6 61.4 1.0 O C:HOH425 3.7 67.2 1.0 CA C:SER76 3.7 49.9 1.0 C C:ASP79 3.7 38.5 1.0 CB C:MSE81 3.8 41.7 1.0 CB C:VAL57 3.8 43.2 1.0 N C:SER80 3.9 36.6 1.0 O C:SER76 4.0 47.5 1.0 CA C:MSE81 4.0 41.8 1.0 OD1 C:ASP79 4.0 58.8 1.0 N C:VAL57 4.0 42.4 1.0 O C:VAL57 4.1 42.3 1.0 CB C:SER76 4.2 48.2 1.0 C C:MSE81 4.2 43.9 1.0 O C:ASP79 4.2 40.2 1.0 O C:HOH318 4.2 41.0 1.0 CG2 C:VAL57 4.3 42.8 1.0 C C:SER76 4.3 47.3 1.0 CB C:ASP79 4.3 42.5 1.0 O C:LEU75 4.4 48.9 1.0 CA C:VAL57 4.4 43.2 1.0 N C:ASP79 4.5 38.2 1.0 C C:SER80 4.6 39.0 1.0 N C:SER76 4.6 51.1 1.0 CG C:ASP79 4.6 49.9 1.0 C C:VAL57 4.7 42.3 1.0 CA C:SER80 4.7 37.4 1.0 C C:LEU75 4.9 50.6 1.0 CG1 C:VAL57 4.9 40.1 1.0

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.