Chlorine in PDB 4cn7: Crystal Structure of the Human Retinoid X Receptor Dna- Binding Domain Bound to An Idealized DR1 Response Element

The structure of Crystal Structure of the Human Retinoid X Receptor Dna- Binding Domain Bound to An Idealized DR1 Response Element, PDB code: 4cn7 was solved by A.G.Mcewen, P.Poussin-Courmontagne, J.Osz, N.Rochel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.82 / 2.34
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	37.630, 65.350, 209.120, 90.00, 90.00, 90.00
R / Rfree (%)	17.31 / 20.93

The structure of Crystal Structure of the Human Retinoid X Receptor Dna- Binding Domain Bound to An Idealized DR1 Response Element also contains other interesting chemical elements:

Zinc

(Zn)

8 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Human Retinoid X Receptor Dna- Binding Domain Bound to An Idealized DR1 Response Element (pdb code 4cn7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the Human Retinoid X Receptor Dna- Binding Domain Bound to An Idealized DR1 Response Element, PDB code: 4cn7:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the Human Retinoid X Receptor Dna- Binding Domain Bound to An Idealized DR1 Response Element


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 Human Retinoid X Receptor Dna- Binding Domain Bound to An Idealized DR1 Response Element within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1207 b:68.6 occ:1.00 N A:ILE179 3.2 63.8 1.0 NZ A:LYS194 3.3 77.5 1.0 CD1 A:LEU178 3.7 76.6 1.0 CA A:LEU178 3.8 67.8 1.0 CE A:LYS194 3.8 63.3 1.0 O A:ILE179 3.9 67.0 1.0 CD A:LYS194 3.9 59.3 1.0 O A:CYS177 4.0 67.3 1.0 C A:LEU178 4.0 68.9 1.0 CA A:ILE179 4.1 60.7 1.0 CB A:ILE179 4.2 61.2 1.0 C A:ILE179 4.4 66.2 1.0 CG A:LEU178 4.4 74.9 1.0 CG1 A:ILE179 4.5 62.2 1.0 CB A:LEU178 4.6 70.6 1.0 N A:LEU178 4.7 69.0 1.0 C A:CYS177 4.7 69.9 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the Human Retinoid X Receptor Dna- Binding Domain Bound to An Idealized DR1 Response Element


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 Human Retinoid X Receptor Dna- Binding Domain Bound to An Idealized DR1 Response Element within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1208 b:85.7 occ:1.00 N A:TYR150 3.2 52.4 1.0 CA A:VAL149 3.6 54.3 1.0 CG1 A:VAL149 3.6 56.9 1.0 CD2 A:TYR150 3.9 56.8 1.0 C A:VAL149 3.9 54.9 1.0 CB A:VAL149 4.0 57.6 1.0 CB A:TYR150 4.2 53.1 1.0 CB A:ALA136 4.2 48.1 1.0 CA A:TYR150 4.3 51.0 1.0 CG2 A:VAL149 4.3 59.0 1.0 O A:GLY148 4.4 65.3 1.0 CG A:TYR150 4.4 55.3 1.0 O A:TYR150 4.7 50.1 1.0 N A:VAL149 4.7 55.8 1.0 CE2 A:TYR150 4.8 59.1 1.0 O A:MET198 4.9 66.5 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the Human Retinoid X Receptor Dna- Binding Domain Bound to An Idealized DR1 Response Element


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 Human Retinoid X Receptor Dna- Binding Domain Bound to An Idealized DR1 Response Element within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1213 b:91.3 occ:1.00 N B:TYR169 3.4 59.2 1.0 CD1 B:TYR189 3.7 63.0 1.0 NE2 B:GLN193 3.8 73.7 1.0 O B:TYR169 3.8 68.2 1.0 CD2 B:TYR192 4.0 53.8 1.0 CE1 B:TYR189 4.0 66.4 1.0 CB B:TYR169 4.1 54.6 1.0 CA B:TYR169 4.1 58.2 1.0 CA B:THR168 4.2 63.3 1.0 C B:THR168 4.3 65.9 1.0 CD2 B:TYR169 4.3 50.6 1.0 C B:TYR169 4.3 67.4 1.0 CG B:TYR169 4.5 52.6 1.0 CE2 B:TYR192 4.5 56.2 1.0 CG2 B:THR168 4.6 79.2 1.0 O B:LEU167 4.6 59.0 1.0 CG B:TYR189 4.8 58.7 1.0 CG B:TYR192 4.9 50.4 1.0 CB B:THR168 5.0 78.4 1.0

J.Osz, A.G.Mcewen, P.Poussin-Courmontagne, E.Moutier, C.Birck, I.Davidson, D.Moras, N.Rochel. Structural Basis of Natural Promoter Recognition By the Retinoid X Nuclear Receptor. Sci.Rep. V. 5 8216 2015.
ISSN: ISSN 2045-2322
PubMed: 25645674
DOI: 10.1038/SREP08216