Zinc 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:

Chlorine

(Cl)

3 atoms

The binding sites of Zinc 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 Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of Homodimeric Androgen Receptor Ligand-Binding Domain Bound to Dht and Lxxll Peptide, PDB code: 5jjm:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 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 Zinc with other atoms in the Zn 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:Zn1002 b:51.6 occ:1.00 SG A:CYS852 2.2 41.3 1.0 O1 M:FME503 2.6 59.8 1.0 CB M:FME503 2.8 65.2 1.0 CE M:FME503 3.1 66.6 1.0 SD M:FME503 3.2 69.0 1.0 CN M:FME503 3.2 58.5 1.0 CA M:FME503 3.2 64.2 1.0 CG M:FME503 3.3 65.6 1.0 N M:FME503 3.3 61.2 1.0 CB A:CYS852 3.4 40.7 1.0 O A:PRO849 3.6 50.0 1.0 N M:SER504 3.8 63.4 1.0 C M:FME503 4.0 63.8 1.0 CB A:ALA843 4.0 42.1 1.0 O A:ASN848 4.3 44.8 1.0 CA A:ALA843 4.5 44.0 1.0 N A:CYS852 4.5 40.8 1.0 C A:PRO849 4.5 48.5 1.0 CA A:CYS852 4.6 41.2 1.0 CA A:PRO849 4.6 52.5 1.0 O M:SER504 4.6 69.3 1.0 O A:ARG846 5.0 69.7 1.0

Zinc binding site 2 out of 4 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 Zinc with other atoms in the Zn 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:Zn1002 b:47.3 occ:1.00 CB F:FME503 1.9 55.5 1.0 O1 F:FME503 2.3 56.0 1.0 SG B:CYS852 2.3 46.5 1.0 CA F:FME503 2.8 53.9 1.0 CN F:FME503 3.0 53.1 1.0 CG F:FME503 3.0 59.1 1.0 N F:FME503 3.1 53.1 1.0 SD F:FME503 3.1 65.3 1.0 CE F:FME503 3.3 63.6 1.0 CB B:CYS852 3.3 43.0 1.0 N F:SER504 3.7 54.3 1.0 C F:FME503 3.7 53.4 1.0 O B:PRO849 3.8 49.7 1.0 O B:ASN848 4.3 49.5 1.0 CB B:ALA843 4.4 44.3 1.0 CA B:CYS852 4.5 40.9 1.0 O F:SER504 4.5 56.9 1.0 N B:CYS852 4.6 41.9 1.0 C B:PRO849 4.6 50.2 1.0 O B:ARG846 4.6 62.5 1.0 CA B:PRO849 4.7 52.2 1.0 O F:FME503 4.8 55.8 1.0 CA B:ALA843 4.9 45.6 1.0

Zinc binding site 3 out of 4 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 Zinc with other atoms in the Zn 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 C:Zn1002 b:53.1 occ:1.00 N K:FME503 2.4 59.3 1.0 SG C:CYS852 2.4 44.1 1.0 O1 K:FME503 2.6 62.8 1.0 CG K:FME503 2.7 61.6 1.0 CN K:FME503 2.9 61.6 1.0 CE K:FME503 3.1 56.3 1.0 CB C:CYS852 3.2 42.6 1.0 CA K:FME503 3.3 56.4 1.0 CB K:FME503 3.4 57.3 1.0 SD K:FME503 3.8 65.6 1.0 N K:SER504 4.0 57.0 1.0 C K:FME503 4.1 57.2 1.0 O C:PRO849 4.1 46.1 1.0 O C:ASN848 4.2 51.6 1.0 CB C:ALA843 4.3 39.8 1.0 CA C:PRO849 4.4 53.9 1.0 CA C:CYS852 4.4 43.9 1.0 C C:PRO849 4.5 49.4 1.0 N C:CYS852 4.5 44.2 1.0 O C:ARG846 4.7 54.1 1.0 CA C:ALA843 4.7 42.8 1.0

Zinc binding site 4 out of 4 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 Zinc with other atoms in the Zn binding site number 4 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:Zn1002 b:49.8 occ:1.00 CB L:FME503 2.3 56.6 1.0 SG D:CYS852 2.3 40.7 1.0 O1 L:FME503 2.5 51.8 1.0 CE L:FME503 2.7 58.3 1.0 CA L:FME503 3.0 52.3 1.0 CN L:FME503 3.0 51.6 1.0 N L:FME503 3.2 49.9 1.0 CG L:FME503 3.2 52.5 1.0 CB D:CYS852 3.3 39.0 1.0 SD L:FME503 3.3 60.8 1.0 N L:SER504 3.8 56.0 1.0 C L:FME503 3.9 49.8 1.0 O D:PRO849 3.9 51.8 1.0 O D:ASN848 4.4 48.9 1.0 CB D:ALA843 4.5 40.1 1.0 CA D:PRO849 4.5 56.3 1.0 C D:PRO849 4.5 52.5 1.0 CA D:CYS852 4.5 38.9 1.0 N D:CYS852 4.6 39.0 1.0 O L:SER504 4.7 60.2 1.0 CA D:ALA843 4.8 43.3 1.0 O D:ARG846 4.9 51.6 1.0 O L:FME503 5.0 48.3 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