Chlorine in PDB 5jjm: Crystal Structure of Homodimeric Androgen Receptor Ligand-Binding Domain Bound to Dht and Lxxll Peptide

The structure of Crystal Structure of Homodimeric Androgen Receptor Ligand-Binding Domain Bound to Dht and Lxxll Peptide, PDB code: 5jjm was solved by E.Estebanez-Perpina, P.Fuentes-Prior, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	157.23 / 2.15
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	91.090, 91.010, 157.230, 90.00, 90.07, 90.00
R / Rfree (%)	20.1 / 24.3

The structure of Crystal Structure of Homodimeric Androgen Receptor Ligand-Binding Domain Bound to Dht and Lxxll Peptide also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of Homodimeric Androgen Receptor Ligand-Binding Domain Bound to Dht and Lxxll Peptide (pdb code 5jjm). 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 Homodimeric Androgen Receptor Ligand-Binding Domain Bound to Dht and Lxxll Peptide, PDB code: 5jjm:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Homodimeric Androgen Receptor Ligand-Binding Domain Bound to Dht and Lxxll Peptide


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 Homodimeric Androgen Receptor Ligand-Binding Domain Bound to Dht and Lxxll Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1003 b:72.6 occ:1.00 OG A:SER851 3.6 47.1 1.0 N A:LYS847 3.7 60.1 1.0 N A:ASN848 3.8 49.2 1.0 CB A:ASN848 4.1 59.0 1.0 CG A:ARG846 4.2 52.1 1.0 CB A:SER851 4.2 43.5 1.0 CA A:ARG846 4.2 60.3 1.0 CB A:ARG846 4.3 56.1 1.0 C A:ARG846 4.4 61.0 1.0 CA A:ASN848 4.6 52.7 1.0 CA A:LYS847 4.6 58.7 1.0 C A:LYS847 4.7 51.3 1.0 CB A:LYS847 4.9 64.1 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Homodimeric Androgen Receptor Ligand-Binding Domain Bound to Dht and Lxxll Peptide


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 Homodimeric Androgen Receptor Ligand-Binding Domain Bound to Dht and Lxxll Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1003 b:66.5 occ:1.00 OG B:SER851 3.3 52.8 1.0 N B:ASN848 3.8 56.7 1.0 CB B:ASN848 3.8 57.5 1.0 N B:LYS847 3.8 62.4 1.0 CA B:ARG846 4.0 56.1 1.0 CB B:ARG846 4.2 51.2 1.0 CB B:SER851 4.2 45.6 1.0 C B:ARG846 4.3 59.2 1.0 CG B:ARG846 4.3 48.6 1.0 CA B:ASN848 4.4 54.7 1.0 CG C:LYS847 4.4 63.2 1.0 C B:LYS847 4.8 58.8 1.0 CA B:LYS847 4.8 63.3 1.0 O B:LYS845 4.9 65.1 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Homodimeric Androgen Receptor Ligand-Binding Domain Bound to Dht and Lxxll Peptide


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 Homodimeric Androgen Receptor Ligand-Binding Domain Bound to Dht and Lxxll Peptide within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1003 b:74.6 occ:1.00 CG D:GLU893 3.3 73.7 1.0 OE1 D:GLU893 3.4 80.6 1.0 CD D:GLU893 3.6 82.7 1.0 N D:GLU893 3.6 48.7 1.0 CA D:PRO892 3.6 43.4 1.0 CB D:PRO892 3.8 40.2 1.0 C D:PRO892 4.1 44.1 1.0 CB D:GLU893 4.3 61.8 1.0 OE2 D:GLU893 4.5 89.1 1.0 CA D:GLU893 4.6 50.8 1.0 OE2 D:GLU709 4.7 55.5 1.0 CG D:PRO892 4.8 41.8 1.0 N D:PRO892 4.9 41.3 1.0

M.Nadal, S.Prekovic, N.Gallastegui, C.Helsen, M.Abella, K.Zielinska, M.Gay, M.Vilaseca, M.Taules, A.B.Houtsmuller, M.E.Van Royen, F.Claessens, P.Fuentes-Prior, E.Estebanez-Perpina. Structure of the Homodimeric Androgen Receptor Ligand-Binding Domain. Nat Commun V. 8 14388 2017.
ISSN: ESSN 2041-1723
PubMed: 28165461
DOI: 10.1038/NCOMMS14388