Chlorine in PDB 1xls: Crystal Structure of the Mouse Car/Rxr Lbd Heterodimer Bound to Tcpobop and 9CRA and A TIF2 Peptide Containg the Third Lxxll Motifs

The structure of Crystal Structure of the Mouse Car/Rxr Lbd Heterodimer Bound to Tcpobop and 9CRA and A TIF2 Peptide Containg the Third Lxxll Motifs, PDB code: 1xls was solved by K.Suino, L.Peng, R.Reynolds, Y.Li, J.-Y.Cha, J.J.Repa, S.A.Kliewer, H.E.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.99 / 2.96
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	68.271, 88.381, 105.494, 79.02, 85.81, 67.22
R / Rfree (%)	25.5 / 30.3

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of the Mouse Car/Rxr Lbd Heterodimer Bound to Tcpobop and 9CRA and A TIF2 Peptide Containg the Third Lxxll Motifs (pdb code 1xls). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 16 binding sites of Chlorine where determined in the Crystal Structure of the Mouse Car/Rxr Lbd Heterodimer Bound to Tcpobop and 9CRA and A TIF2 Peptide Containg the Third Lxxll Motifs, PDB code: 1xls:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 16 in the Crystal Structure of the Mouse Car/Rxr Lbd Heterodimer Bound to Tcpobop and 9CRA and A TIF2 Peptide Containg the Third Lxxll Motifs


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 Mouse Car/Rxr Lbd Heterodimer Bound to Tcpobop and 9CRA and A TIF2 Peptide Containg the Third Lxxll Motifs within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl805 b:54.0 occ:1.00 CL25 E:TCD805 0.0 54.0 1.0 C25 E:TCD805 1.8 41.6 1.0 C24 E:TCD805 2.7 44.4 1.0 C26 E:TCD805 2.7 37.3 1.0 CD1 E:LEU353 3.2 51.9 1.0 CG2 E:THR350 3.6 39.2 1.0 CG E:LEU346 3.8 53.4 1.0 CD2 E:LEU346 3.8 54.7 1.0 CA E:ALA172 4.0 24.7 1.0 N23 E:TCD805 4.0 45.7 1.0 CD1 E:LEU346 4.0 50.5 1.0 CD2 E:LEU340 4.2 30.9 1.0 C27 E:TCD805 4.2 27.3 1.0 CB E:ASN175 4.3 36.9 1.0 CB E:ALA172 4.3 32.1 1.0 CG E:LEU353 4.4 49.1 1.0 CB E:LEU353 4.4 41.5 1.0 CG E:ASN175 4.5 44.3 1.0 ND2 E:ASN175 4.5 46.6 1.0 O E:PHE171 4.6 33.0 1.0 C22 E:TCD805 4.6 38.1 1.0 N E:ALA172 4.7 25.6 1.0 CB E:THR350 4.7 48.1 1.0 C E:PHE171 4.9 28.7 1.0 OG1 E:THR350 4.9 42.1 1.0 O E:ALA172 4.9 23.8 1.0 C E:ALA172 5.0 23.5 1.0

Chlorine binding site 2 out of 16 in the Crystal Structure of the Mouse Car/Rxr Lbd Heterodimer Bound to Tcpobop and 9CRA and A TIF2 Peptide Containg the Third Lxxll Motifs


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 Mouse Car/Rxr Lbd Heterodimer Bound to Tcpobop and 9CRA and A TIF2 Peptide Containg the Third Lxxll Motifs within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl805 b:54.0 occ:1.00 CL27 E:TCD805 0.0 54.0 1.0 C27 E:TCD805 1.8 27.3 1.0 C22 E:TCD805 2.8 38.1 1.0 C26 E:TCD805 2.9 37.3 1.0 CB E:GLU339 3.0 63.0 1.0 O21 E:TCD805 3.2 45.5 1.0 CA E:TYR336 3.6 42.6 1.0 CG E:TYR336 3.7 42.8 1.0 CG E:GLU339 3.7 64.2 1.0 O E:TYR336 3.7 55.7 1.0 CD1 E:TYR336 3.8 42.7 1.0 CD2 E:TYR336 3.9 50.0 1.0 CB E:TYR336 4.1 38.7 1.0 N23 E:TCD805 4.1 45.7 1.0 C E:TYR336 4.1 51.3 1.0 CZ E:PHE248 4.2 30.9 1.0 C25 E:TCD805 4.2 41.6 1.0 CE2 E:PHE248 4.2 27.7 1.0 N E:LEU340 4.2 59.0 1.0 CE2 E:PHE244 4.2 35.9 1.0 CA E:GLU339 4.2 60.7 1.0 CE1 E:TYR336 4.3 44.5 1.0 CE2 E:TYR336 4.4 44.2 1.0 CD2 E:PHE244 4.4 36.1 1.0 C E:GLU339 4.5 60.7 1.0 CZ E:TYR336 4.5 43.0 1.0 C24 E:TCD805 4.6 44.4 1.0 C1 E:TCD805 4.6 43.7 1.0 CD2 E:LEU340 4.6 30.9 1.0 N E:GLU339 4.7 61.1 1.0 N E:TYR336 4.7 42.0 1.0 CG E:LEU340 4.8 39.3 1.0 O E:ALA335 4.9 48.2 1.0 CD E:GLU339 4.9 64.1 1.0

Chlorine binding site 3 out of 16 in the Crystal Structure of the Mouse Car/Rxr Lbd Heterodimer Bound to Tcpobop and 9CRA and A TIF2 Peptide Containg the Third Lxxll Motifs


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 Mouse Car/Rxr Lbd Heterodimer Bound to Tcpobop and 9CRA and A TIF2 Peptide Containg the Third Lxxll Motifs within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl805 b:54.0 occ:1.00 CL35 E:TCD805 0.0 54.0 1.0 C35 E:TCD805 1.8 36.6 1.0 C36 E:TCD805 2.8 45.3 1.0 C34 E:TCD805 2.8 41.0 1.0 CE2 E:PHE142 3.5 38.3 1.0 CD1 E:TYR234 3.5 29.5 1.0 SG E:CYS229 3.6 36.5 1.0 CD1 E:LEU216 3.7 5.8 1.0 CE1 E:TYR234 3.7 37.1 1.0 CG E:TYR234 4.0 27.0 1.0 N33 E:TCD805 4.1 39.5 1.0 C37 E:TCD805 4.1 48.3 1.0 CD2 E:PHE142 4.1 45.3 1.0 CZ E:TYR234 4.3 38.3 1.0 CD2 E:LEU216 4.4 16.0 1.0 CB E:PHE227 4.5 26.8 1.0 CD2 E:TYR234 4.5 25.2 1.0 CB E:TYR234 4.5 27.2 1.0 CZ E:PHE142 4.6 33.6 1.0 CD1 E:ILE174 4.6 28.9 1.0 C32 E:TCD805 4.6 40.3 1.0 CG E:LEU216 4.6 16.3 1.0 CE2 E:TYR234 4.7 28.6 1.0 CG E:PHE227 4.9 23.5 1.0 CB E:CYS229 4.9 38.1 1.0 CD2 E:PHE227 4.9 20.6 1.0

Chlorine binding site 4 out of 16 in the Crystal Structure of the Mouse Car/Rxr Lbd Heterodimer Bound to Tcpobop and 9CRA and A TIF2 Peptide Containg the Third Lxxll Motifs


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 Mouse Car/Rxr Lbd Heterodimer Bound to Tcpobop and 9CRA and A TIF2 Peptide Containg the Third Lxxll Motifs within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl805 b:54.0 occ:1.00 CL37 E:TCD805 0.0 54.0 1.0 C37 E:TCD805 1.8 48.3 1.0 C36 E:TCD805 2.7 45.3 1.0 C32 E:TCD805 2.8 40.3 1.0 O31 E:TCD805 3.0 41.7 1.0 CD1 E:PHE227 3.4 18.3 1.0 CE1 E:PHE227 3.6 9.9 1.0 N33 E:TCD805 4.0 39.5 1.0 O E:LYS235 4.1 48.2 1.0 CB E:TYR234 4.1 27.2 1.0 C35 E:TCD805 4.1 36.6 1.0 CG E:PHE227 4.2 23.5 1.0 C4 E:TCD805 4.3 42.2 1.0 O E:TYR234 4.4 35.7 1.0 C34 E:TCD805 4.5 41.0 1.0 C E:TYR234 4.5 35.2 1.0 CZ E:PHE227 4.6 9.2 1.0 C E:LYS235 4.6 42.3 1.0 CB E:PHE227 4.8 26.8 1.0 CA E:TYR234 5.0 34.7 1.0 N E:LYS235 5.0 38.7 1.0

Chlorine binding site 5 out of 16 in the Crystal Structure of the Mouse Car/Rxr Lbd Heterodimer Bound to Tcpobop and 9CRA and A TIF2 Peptide Containg the Third Lxxll Motifs


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 Mouse Car/Rxr Lbd Heterodimer Bound to Tcpobop and 9CRA and A TIF2 Peptide Containg the Third Lxxll Motifs within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl806 b:54.0 occ:1.00 CL25 F:TCD806 0.0 54.0 1.0 C25 F:TCD806 1.8 22.7 1.0 C26 F:TCD806 2.8 23.3 1.0 C24 F:TCD806 2.8 25.2 1.0 CD1 F:LEU353 3.2 54.5 1.0 CG2 F:THR350 3.6 49.0 1.0 CG F:LEU346 3.8 33.2 1.0 CD2 F:LEU346 3.9 36.8 1.0 CA F:ALA172 4.0 25.4 1.0 N23 F:TCD806 4.0 25.2 1.0 CD1 F:LEU346 4.1 31.9 1.0 CD2 F:LEU340 4.1 42.6 1.0 C27 F:TCD806 4.2 14.4 1.0 CB F:ALA172 4.3 21.1 1.0 CB F:ASN175 4.4 30.7 1.0 CG F:LEU353 4.4 49.2 1.0 CB F:LEU353 4.4 44.9 1.0 CG F:ASN175 4.6 38.1 1.0 C22 F:TCD806 4.6 20.9 1.0 ND2 F:ASN175 4.6 33.9 1.0 O F:PHE171 4.6 30.9 1.0 CB F:THR350 4.7 52.4 1.0 N F:ALA172 4.7 23.5 1.0 OG1 F:THR350 4.9 56.0 1.0 C F:PHE171 4.9 25.6 1.0 O F:ALA172 4.9 28.4 1.0

Chlorine binding site 6 out of 16 in the Crystal Structure of the Mouse Car/Rxr Lbd Heterodimer Bound to Tcpobop and 9CRA and A TIF2 Peptide Containg the Third Lxxll Motifs


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 the Mouse Car/Rxr Lbd Heterodimer Bound to Tcpobop and 9CRA and A TIF2 Peptide Containg the Third Lxxll Motifs within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl806 b:54.0 occ:1.00 CL27 F:TCD806 0.0 54.0 1.0 C27 F:TCD806 1.8 14.4 1.0 C22 F:TCD806 2.8 20.9 1.0 C26 F:TCD806 2.8 23.3 1.0 CB F:GLU339 3.1 57.0 1.0 O21 F:TCD806 3.2 30.8 1.0 CA F:TYR336 3.6 46.3 1.0 CG F:TYR336 3.6 42.9 1.0 CG F:GLU339 3.7 60.8 1.0 O F:TYR336 3.8 51.0 1.0 CD1 F:TYR336 3.8 39.9 1.0 CD2 F:TYR336 3.9 40.9 1.0 N23 F:TCD806 4.0 25.2 1.0 CB F:TYR336 4.1 47.2 1.0 CZ F:PHE248 4.1 29.8 1.0 C F:TYR336 4.1 47.8 1.0 C25 F:TCD806 4.1 22.7 1.0 CE2 F:PHE248 4.2 26.1 1.0 CE1 F:TYR336 4.2 43.5 1.0 CE2 F:PHE244 4.2 30.4 1.0 N F:LEU340 4.3 57.1 1.0 CA F:GLU339 4.3 56.8 1.0 CE2 F:TYR336 4.3 41.5 1.0 CD2 F:PHE244 4.4 30.9 1.0 CZ F:TYR336 4.5 44.2 1.0 C F:GLU339 4.5 58.1 1.0 C1 F:TCD806 4.5 26.8 1.0 C24 F:TCD806 4.6 25.2 1.0 N F:TYR336 4.7 44.1 1.0 CD2 F:LEU340 4.7 42.6 1.0 N F:GLU339 4.7 59.6 1.0 CG F:LEU340 4.9 46.0 1.0 O F:ALA335 4.9 41.0 1.0 CD F:GLU339 4.9 62.3 1.0

Chlorine binding site 7 out of 16 in the Crystal Structure of the Mouse Car/Rxr Lbd Heterodimer Bound to Tcpobop and 9CRA and A TIF2 Peptide Containg the Third Lxxll Motifs


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 the Mouse Car/Rxr Lbd Heterodimer Bound to Tcpobop and 9CRA and A TIF2 Peptide Containg the Third Lxxll Motifs within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl806 b:54.0 occ:1.00 CL35 F:TCD806 0.0 54.0 1.0 C35 F:TCD806 1.8 37.4 1.0 C34 F:TCD806 2.8 40.3 1.0 C36 F:TCD806 2.8 44.2 1.0 CE2 F:PHE142 3.5 42.3 1.0 CD1 F:TYR234 3.6 33.4 1.0 CD1 F:LEU216 3.6 19.0 1.0 SG F:CYS229 3.7 45.0 1.0 CE1 F:TYR234 3.8 31.2 1.0 CG F:TYR234 4.0 32.0 1.0 N33 F:TCD806 4.1 42.0 1.0 C37 F:TCD806 4.1 45.1 1.0 CD2 F:PHE142 4.1 41.0 1.0 CZ F:TYR234 4.3 40.5 1.0 CD2 F:LEU216 4.4 9.5 1.0 CD2 F:TYR234 4.5 35.4 1.0 CB F:PHE227 4.5 23.2 1.0 CZ F:PHE142 4.5 42.4 1.0 CD1 F:ILE174 4.5 18.2 1.0 C32 F:TCD806 4.6 42.3 1.0 CB F:TYR234 4.6 28.9 1.0 CG F:LEU216 4.6 23.2 1.0 CE2 F:TYR234 4.7 40.5 1.0 CB F:CYS229 4.9 41.6 1.0 CG F:PHE227 4.9 29.8 1.0 CD2 F:PHE227 4.9 32.0 1.0

Chlorine binding site 8 out of 16 in the Crystal Structure of the Mouse Car/Rxr Lbd Heterodimer Bound to Tcpobop and 9CRA and A TIF2 Peptide Containg the Third Lxxll Motifs


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of the Mouse Car/Rxr Lbd Heterodimer Bound to Tcpobop and 9CRA and A TIF2 Peptide Containg the Third Lxxll Motifs within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl806 b:54.0 occ:1.00 CL37 F:TCD806 0.0 54.0 1.0 C37 F:TCD806 1.8 45.1 1.0 C36 F:TCD806 2.8 44.2 1.0 C32 F:TCD806 2.8 42.3 1.0 O31 F:TCD806 2.9 35.5 1.0 CD1 F:PHE227 3.5 32.1 1.0 CE1 F:PHE227 3.7 27.8 1.0 O F:LYS235 4.0 35.0 1.0 N33 F:TCD806 4.0 42.0 1.0 C35 F:TCD806 4.1 37.4 1.0 CB F:TYR234 4.1 28.9 1.0 CG F:PHE227 4.2 29.8 1.0 C4 F:TCD806 4.3 35.5 1.0 O F:TYR234 4.4 42.5 1.0 C34 F:TCD806 4.5 40.3 1.0 CZ F:PHE227 4.6 30.9 1.0 C F:LYS235 4.6 34.2 1.0 C F:TYR234 4.6 36.4 1.0 CB F:PHE227 4.8 23.2 1.0

Chlorine binding site 9 out of 16 in the Crystal Structure of the Mouse Car/Rxr Lbd Heterodimer Bound to Tcpobop and 9CRA and A TIF2 Peptide Containg the Third Lxxll Motifs


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of the Mouse Car/Rxr Lbd Heterodimer Bound to Tcpobop and 9CRA and A TIF2 Peptide Containg the Third Lxxll Motifs within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl807 b:54.0 occ:1.00 CL25 G:TCD807 0.0 54.0 1.0 C25 G:TCD807 1.8 23.3 1.0 C24 G:TCD807 2.7 22.3 1.0 C26 G:TCD807 2.8 21.3 1.0 CD1 G:LEU353 3.2 60.3 1.0 CG2 G:THR350 3.6 51.2 1.0 CG G:LEU346 3.8 38.9 1.0 CD2 G:LEU346 3.9 42.2 1.0 CA G:ALA172 4.0 24.3 1.0 CD1 G:LEU346 4.0 36.4 1.0 N23 G:TCD807 4.0 27.2 1.0 CD2 G:LEU340 4.2 42.5 1.0 C27 G:TCD807 4.2 12.9 1.0 CB G:ALA172 4.3 20.7 1.0 CB G:ASN175 4.4 23.7 1.0 CG G:LEU353 4.4 54.0 1.0 CB G:LEU353 4.4 49.0 1.0 CG G:ASN175 4.6 36.5 1.0 O G:PHE171 4.6 26.7 1.0 ND2 G:ASN175 4.6 35.8 1.0 C22 G:TCD807 4.6 20.4 1.0 N G:ALA172 4.6 27.4 1.0 CB G:THR350 4.7 52.1 1.0 OG1 G:THR350 4.9 47.7 1.0 C G:PHE171 4.9 25.7 1.0 O G:ALA172 4.9 19.8 1.0 C G:ALA172 5.0 24.2 1.0

Chlorine binding site 10 out of 16 in the Crystal Structure of the Mouse Car/Rxr Lbd Heterodimer Bound to Tcpobop and 9CRA and A TIF2 Peptide Containg the Third Lxxll Motifs


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of the Mouse Car/Rxr Lbd Heterodimer Bound to Tcpobop and 9CRA and A TIF2 Peptide Containg the Third Lxxll Motifs within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl807 b:54.0 occ:1.00 CL27 G:TCD807 0.0 54.0 1.0 C27 G:TCD807 1.8 12.9 1.0 C22 G:TCD807 2.8 20.4 1.0 C26 G:TCD807 2.9 21.3 1.0 CB G:GLU339 3.0 62.2 1.0 O21 G:TCD807 3.2 31.3 1.0 CA G:TYR336 3.6 44.8 1.0 CG G:GLU339 3.6 65.1 1.0 CG G:TYR336 3.7 36.9 1.0 O G:TYR336 3.7 53.6 1.0 CD1 G:TYR336 3.9 35.8 1.0 CD2 G:TYR336 3.9 35.7 1.0 N23 G:TCD807 4.1 27.2 1.0 CB G:TYR336 4.1 42.6 1.0 C G:TYR336 4.1 48.4 1.0 CZ G:PHE248 4.2 31.2 1.0 C25 G:TCD807 4.2 23.3 1.0 CE2 G:PHE248 4.2 23.3 1.0 N G:LEU340 4.2 55.5 1.0 CA G:GLU339 4.2 59.3 1.0 CE2 G:PHE244 4.2 35.3 1.0 CE1 G:TYR336 4.3 39.6 1.0 CE2 G:TYR336 4.4 39.5 1.0 CD2 G:PHE244 4.4 32.6 1.0 C G:GLU339 4.5 58.0 1.0 CZ G:TYR336 4.5 41.8 1.0 C1 G:TCD807 4.6 37.0 1.0 C24 G:TCD807 4.6 22.3 1.0 N G:GLU339 4.7 60.7 1.0 CD2 G:LEU340 4.7 42.5 1.0 N G:TYR336 4.7 43.6 1.0 CG G:LEU340 4.8 39.2 1.0 O G:ALA335 4.9 45.1 1.0 CD G:GLU339 4.9 67.5 1.0

K.Suino, L.Peng, R.Reynolds, Y.Li, J.Y.Cha, J.J.Repa, S.A.Kliewer, H.E.Xu. The Nuclear Xenobiotic Receptor Car: Structural Determinants of Constitutive Activation and Heterodimerization. Mol.Cell V. 16 893 2004.
ISSN: ISSN 1097-2765
PubMed: 15610733
DOI: 10.1016/J.MOLCEL.2004.11.036