Zinc in PDB 8rm6: Crystal Structure of Human Androgen Receptor Dna Binding Domain Bound to Its Response Element: C3(1)Are

The structure of Crystal Structure of Human Androgen Receptor Dna Binding Domain Bound to Its Response Element: C3(1)Are, PDB code: 8rm6 was solved by X.Y.Lee, C.Helsen, W.Van Eynde, A.Voet, F.Claessens, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.35 / 2.05
Space group	P 2 21 2
Cell size a, b, c (Å), α, β, γ (°)	37.029, 95.359, 115.353, 90, 90, 90
R / Rfree (%)	22.1 / 24.7

The binding sites of Zinc atom in the Crystal Structure of Human Androgen Receptor Dna Binding Domain Bound to Its Response Element: C3(1)Are (pdb code 8rm6). 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 Human Androgen Receptor Dna Binding Domain Bound to Its Response Element: C3(1)Are, PDB code: 8rm6:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of Human Androgen Receptor Dna Binding Domain Bound to Its Response Element: C3(1)Are


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 Human Androgen Receptor Dna Binding Domain Bound to Its Response Element: C3(1)Are within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn701 b:35.8 occ:1.00 SG B:CYS559 2.3 38.9 1.0 SG B:CYS579 2.3 35.0 1.0 SG B:CYS576 2.3 38.1 1.0 SG B:CYS562 2.4 37.0 1.0 CB B:CYS579 3.2 32.3 1.0 CB B:CYS559 3.2 43.1 1.0 CB B:CYS562 3.4 34.7 1.0 CB B:CYS576 3.6 41.0 1.0 N B:CYS562 3.8 38.4 1.0 N B:CYS576 3.9 42.7 1.0 CA B:CYS562 4.1 39.4 1.0 N B:CYS579 4.2 31.6 1.0 NH1 B:ARG608 4.3 32.8 1.0 CA B:CYS579 4.3 33.1 1.0 CA B:CYS576 4.3 41.4 1.0 CB B:ILE561 4.3 37.0 1.0 CB B:ASP564 4.4 41.3 1.0 OG B:SER578 4.4 37.4 1.0 C B:CYS562 4.7 38.0 1.0 CA B:CYS559 4.7 43.1 1.0 C B:ILE561 4.7 40.0 1.0 N B:ASP564 4.8 41.4 1.0 N B:ILE561 4.9 37.8 1.0 N B:GLY563 4.9 43.0 1.0 CA B:ILE561 4.9 36.9 1.0 C B:CYS576 4.9 40.1 1.0 O B:CYS576 5.0 42.7 1.0 CG1 B:ILE561 5.0 41.8 1.0 NH2 B:ARG615 5.0 30.5 1.0 CD B:ARG608 5.0 35.6 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of Human Androgen Receptor Dna Binding Domain Bound to Its Response Element: C3(1)Are


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 Human Androgen Receptor Dna Binding Domain Bound to Its Response Element: C3(1)Are within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn702 b:29.4 occ:1.00 SG B:CYS601 2.3 28.5 1.0 SG B:CYS614 2.3 29.8 1.0 SG B:CYS611 2.3 28.2 1.0 SG B:CYS595 2.4 28.4 1.0 CB B:CYS601 3.3 28.1 1.0 CB B:CYS595 3.3 28.3 1.0 CB B:CYS611 3.4 27.5 1.0 CB B:CYS614 3.4 31.1 1.0 O B:HOH812 3.9 29.4 1.0 N B:CYS601 4.0 31.4 1.0 CA B:CYS595 4.0 32.4 1.0 O B:HOH801 4.2 35.1 1.0 N B:CYS614 4.2 27.3 1.0 CA B:CYS601 4.3 31.5 1.0 O B:HOH811 4.3 35.6 1.0 CA B:CYS614 4.4 27.3 1.0 CA B:ASN599 4.4 30.0 1.0 N B:ASN599 4.5 29.4 1.0 N B:ASP600 4.6 27.1 1.0 O A:HOH823 4.7 33.3 1.0 N B:ALA596 4.7 29.4 1.0 C B:ASN599 4.8 30.1 1.0 CA B:CYS611 4.8 27.4 1.0 C B:CYS595 4.9 33.9 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of Human Androgen Receptor Dna Binding Domain Bound to Its Response Element: C3(1)Are


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 Human Androgen Receptor Dna Binding Domain Bound to Its Response Element: C3(1)Are within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn701 b:36.5 occ:1.00 SG A:CYS562 2.3 37.1 1.0 SG A:CYS559 2.3 39.5 1.0 SG A:CYS579 2.3 35.5 1.0 SG A:CYS576 2.4 38.1 1.0 CB A:CYS579 3.3 35.6 1.0 CB A:CYS559 3.3 39.9 1.0 CB A:CYS562 3.3 37.2 1.0 CB A:CYS576 3.5 44.1 1.0 N A:CYS562 3.6 36.5 1.0 N A:CYS576 3.9 43.8 1.0 CA A:CYS562 4.0 38.4 1.0 N A:CYS579 4.2 34.6 1.0 CA A:CYS576 4.3 42.7 1.0 OG A:SER578 4.3 35.8 1.0 CB A:ILE561 4.3 40.7 1.0 CA A:CYS579 4.4 35.7 1.0 NH1 A:ARG608 4.5 34.0 1.0 CB A:ASP564 4.5 41.8 1.0 C A:CYS562 4.6 37.9 1.0 C A:ILE561 4.6 42.2 1.0 N A:ASP564 4.7 41.1 1.0 CA A:CYS559 4.7 42.0 1.0 N A:GLY563 4.8 41.8 1.0 CA A:ILE561 4.8 42.0 1.0 C A:CYS576 4.9 40.9 1.0 NH2 A:ARG615 4.9 32.0 1.0 N A:ILE561 4.9 42.4 1.0 C A:THR575 5.0 48.1 1.0 CG2 A:ILE561 5.0 38.0 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of Human Androgen Receptor Dna Binding Domain Bound to Its Response Element: C3(1)Are


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 Human Androgen Receptor Dna Binding Domain Bound to Its Response Element: C3(1)Are within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn702 b:28.9 occ:1.00 SG A:CYS611 2.3 29.3 1.0 SG A:CYS601 2.3 27.6 1.0 SG A:CYS614 2.3 30.5 1.0 SG A:CYS595 2.3 29.3 1.0 CB A:CYS595 3.2 29.4 1.0 CB A:CYS601 3.2 26.9 1.0 CB A:CYS611 3.3 27.1 1.0 CB A:CYS614 3.3 30.5 1.0 O A:HOH807 3.8 26.9 1.0 N A:CYS601 3.9 35.2 1.0 CA A:CYS595 4.0 30.5 1.0 O A:HOH805 4.2 32.4 1.0 CA A:CYS601 4.2 31.4 1.0 N A:CYS614 4.2 25.9 1.0 CA A:CYS614 4.4 27.2 1.0 CA A:ASN599 4.5 30.9 1.0 N A:ASP600 4.5 34.3 1.0 N A:ASN599 4.6 32.2 1.0 O A:HOH823 4.7 33.3 1.0 CA A:CYS611 4.7 26.6 1.0 N A:ALA596 4.7 29.2 1.0 C A:CYS595 4.8 30.9 1.0 C A:ASN599 4.8 33.0 1.0 N A:SER597 5.0 31.9 1.0

X.Y.Lee, W.Van Eynde, C.Helsen, H.Willems, K.Peperstraete, S.De Block, A.Voet, F.Claessens. Structural Mechanism Underlying Variations in Dna Binding By the Androgen Receptor. J.Steroid Biochem.Mol.Biol. V. 241 06499 2024.
ISSN: ISSN 0960-0760
PubMed: 38604378
DOI: 10.1016/J.JSBMB.2024.106499