Chlorine in PDB 4nqa: Crystal Structure of Liganded Hrxr-Alpha/Hlxr-Beta Heterodimer on Dna

The structure of Crystal Structure of Liganded Hrxr-Alpha/Hlxr-Beta Heterodimer on Dna, PDB code: 4nqa was solved by X.H.Lou, G.Toresson, C.Benod, J.H.Suh, K.J.Phillips, P.Webb, J.A.Gustafsson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.97 / 3.10
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	85.783, 85.783, 238.577, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 21.8

The structure of Crystal Structure of Liganded Hrxr-Alpha/Hlxr-Beta Heterodimer on Dna also contains other interesting chemical elements:

Fluorine	(F)	6 atoms
Zinc	(Zn)	8 atoms

The binding sites of Chlorine atom in the Crystal Structure of Liganded Hrxr-Alpha/Hlxr-Beta Heterodimer on Dna (pdb code 4nqa). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Liganded Hrxr-Alpha/Hlxr-Beta Heterodimer on Dna, PDB code: 4nqa:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Liganded Hrxr-Alpha/Hlxr-Beta Heterodimer on Dna


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 Liganded Hrxr-Alpha/Hlxr-Beta Heterodimer on Dna within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:66.0 occ:1.00 CL4 B:965501 0.0 66.0 1.0 C19 B:965501 1.8 66.0 1.0 F40 B:965501 2.5 66.0 1.0 C20 B:965501 2.7 66.0 1.0 C18 B:965501 2.7 66.0 1.0 C39 B:965501 3.0 66.0 1.0 C16 B:965501 3.1 66.0 1.0 F41 B:965501 3.5 66.0 1.0 C21 B:965501 4.0 66.0 1.0 C23 B:965501 4.0 66.0 1.0 CE1 B:PHE268 4.2 74.8 1.0 CD2 B:LEU345 4.2 52.2 1.0 F42 B:965501 4.3 66.0 1.0 N09 B:965501 4.3 66.0 1.0 C08 B:965501 4.3 66.0 1.0 CD1 B:LEU345 4.4 52.2 1.0 CG2 B:THR272 4.4 68.9 1.0 C22 B:965501 4.5 66.0 1.0 CB B:PHE271 4.5 60.1 1.0 CD1 B:PHE268 4.6 74.8 1.0 CG B:LEU345 4.9 52.2 1.0 N B:THR272 4.9 68.9 1.0 C B:PHE271 5.0 60.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Liganded Hrxr-Alpha/Hlxr-Beta Heterodimer on Dna


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 Liganded Hrxr-Alpha/Hlxr-Beta Heterodimer on Dna within 5.0Å range: probe atom residue distance (Å) B Occ I:Cl501 b:59.0 occ:1.00 CL4 I:965501 0.0 59.0 1.0 C19 I:965501 1.8 59.0 1.0 C20 I:965501 2.7 59.0 1.0 C18 I:965501 2.7 59.0 1.0 F40 I:965501 2.9 59.0 1.0 C39 I:965501 3.0 59.0 1.0 F41 I:965501 3.1 59.0 1.0 C16 I:965501 3.1 59.0 1.0 CE1 I:PHE268 4.0 64.3 1.0 C21 I:965501 4.0 59.0 1.0 C23 I:965501 4.0 59.0 1.0 OG1 I:THR272 4.1 58.3 1.0 CB I:PHE271 4.2 47.9 1.0 CD2 I:LEU345 4.2 27.7 1.0 CD1 I:PHE268 4.4 64.3 1.0 F42 I:965501 4.4 59.0 1.0 N I:THR272 4.4 58.3 1.0 C I:PHE271 4.4 47.9 1.0 N09 I:965501 4.4 59.0 1.0 O I:PHE271 4.5 47.9 1.0 CA I:THR272 4.5 58.3 1.0 C22 I:965501 4.5 59.0 1.0 CZ I:PHE268 4.6 64.3 1.0 CD1 I:LEU345 4.7 27.7 1.0 O I:PHE268 4.7 64.3 1.0 C08 I:965501 4.7 59.0 1.0 CB I:THR272 4.9 58.3 1.0 CA I:PHE271 5.0 47.9 1.0 CG I:LEU345 5.0 27.7 1.0

X.Lou, G.Toresson, C.Benod, J.H.Suh, K.J.Philips, P.Webb, J.A.Gustafsson. Structure of the Retinoid X Receptor Alpha-Liver X Receptor Beta (Rxr Alpha-Lxr Beta ) Heterodimer on Dna. Nat.Struct.Mol.Biol. V. 21 277 2014.
ISSN: ISSN 1545-9993
PubMed: 24561505
DOI: 10.1038/NSMB.2778