Zinc in PDB 4oln: Ancestral Steroid Receptor 1 in Complex with Estrogen Response Element Dna

The structure of Ancestral Steroid Receptor 1 in Complex with Estrogen Response Element Dna, PDB code: 4oln was solved by E.O.Ortlund, M.N.Murphy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.37 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	97.184, 36.425, 90.939, 90.00, 121.63, 90.00
R / Rfree (%)	17.5 / 20.6

The structure of Ancestral Steroid Receptor 1 in Complex with Estrogen Response Element Dna also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Zinc atom in the Ancestral Steroid Receptor 1 in Complex with Estrogen Response Element Dna (pdb code 4oln). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Ancestral Steroid Receptor 1 in Complex with Estrogen Response Element Dna, PDB code: 4oln:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Ancestral Steroid Receptor 1 in Complex with Estrogen Response Element Dna


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Ancestral Steroid Receptor 1 in Complex with Estrogen Response Element Dna within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn101 b:19.8 occ:1.00 SG A:CYS10 2.3 21.5 1.0 SG A:CYS27 2.3 20.3 1.0 SG A:CYS24 2.4 19.8 1.0 SG A:CYS7 2.4 17.9 1.0 CB A:CYS27 3.2 20.6 1.0 CB A:CYS7 3.3 17.8 1.0 CB A:CYS10 3.4 18.8 1.0 CB A:CYS24 3.6 17.1 1.0 N A:CYS10 3.7 19.4 1.0 N A:CYS24 3.9 17.8 1.0 O A:HOH251 4.0 28.9 1.0 CA A:CYS10 4.1 21.4 1.0 N A:CYS27 4.1 17.6 1.0 CA A:CYS27 4.3 20.7 1.0 CB A:VAL9 4.3 17.2 1.0 CA A:CYS24 4.3 17.5 1.0 O A:HOH232 4.5 29.6 1.0 C A:VAL9 4.6 19.9 1.0 CA A:CYS7 4.7 18.4 1.0 C A:CYS10 4.8 22.6 1.0 CB A:ASP12 4.8 25.2 1.0 N A:GLY11 4.9 19.5 1.0 NH2 A:ARG63 4.9 18.3 1.0 CA A:VAL9 4.9 17.7 1.0 CG1 A:VAL9 4.9 19.7 1.0 N A:ASP12 5.0 20.0 1.0 N A:VAL9 5.0 18.1 1.0 C A:CYS24 5.0 21.2 1.0

Zinc binding site 2 out of 4 in the Ancestral Steroid Receptor 1 in Complex with Estrogen Response Element Dna


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Ancestral Steroid Receptor 1 in Complex with Estrogen Response Element Dna within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn102 b:23.0 occ:1.00 SG A:CYS59 2.3 23.8 1.0 SG A:CYS43 2.3 22.5 1.0 SG A:CYS49 2.4 22.8 1.0 SG A:CYS62 2.4 24.4 1.0 CB A:CYS49 3.2 18.8 1.0 CB A:CYS59 3.2 23.4 1.0 CB A:CYS43 3.3 27.9 1.0 CB A:CYS62 3.4 24.6 1.0 CA A:CYS43 4.1 24.1 1.0 N A:CYS49 4.1 23.4 1.0 N A:CYS62 4.2 24.6 1.0 CA A:CYS49 4.3 20.6 1.0 CA A:CYS62 4.4 22.5 1.0 O A:HOH214 4.4 24.2 1.0 O A:HOH205 4.4 28.0 1.0 CD A:PRO44 4.4 22.1 1.0 CA A:ASN47 4.5 23.8 1.0 O A:HOH207 4.5 37.2 1.0 N A:ASN47 4.6 24.4 1.0 N A:ASN48 4.6 27.3 1.0 CA A:CYS59 4.7 22.3 1.0 C A:ASN47 4.8 23.5 1.0 C A:CYS43 4.9 24.2 1.0 N A:PRO44 4.9 20.2 1.0 CB A:ALA61 5.0 19.1 1.0

Zinc binding site 3 out of 4 in the Ancestral Steroid Receptor 1 in Complex with Estrogen Response Element Dna


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Ancestral Steroid Receptor 1 in Complex with Estrogen Response Element Dna within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn101 b:18.1 occ:1.00 SG B:CYS10 2.3 18.2 1.0 SG B:CYS7 2.4 16.0 1.0 SG B:CYS27 2.4 17.8 1.0 SG B:CYS24 2.4 17.1 1.0 CB B:CYS27 3.3 19.4 1.0 CB B:CYS7 3.3 15.7 1.0 CB B:CYS10 3.4 16.6 1.0 CB B:CYS24 3.6 14.8 1.0 N B:CYS10 3.8 17.8 1.0 N B:CYS24 4.0 16.0 1.0 N B:CYS27 4.1 15.6 1.0 CA B:CYS10 4.1 16.3 1.0 NH1 B:ARG56 4.2 24.2 1.0 CA B:CYS27 4.3 15.8 1.0 CB B:VAL9 4.3 17.8 1.0 CA B:CYS24 4.4 16.6 1.0 CB B:ASP12 4.6 24.6 1.0 C B:VAL9 4.7 20.7 1.0 CA B:CYS7 4.7 16.5 1.0 C B:CYS10 4.7 17.1 1.0 CD B:ARG56 4.8 17.7 1.0 N B:GLY11 4.8 17.4 1.0 N B:ASP12 4.9 23.4 1.0 NH2 B:ARG63 4.9 15.2 1.0 CG1 B:VAL9 4.9 21.1 1.0 CA B:VAL9 4.9 17.3 1.0 O B:CYS24 5.0 15.3 1.0 C B:CYS24 5.0 14.7 1.0 N B:VAL9 5.0 16.7 1.0

Zinc binding site 4 out of 4 in the Ancestral Steroid Receptor 1 in Complex with Estrogen Response Element Dna


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Ancestral Steroid Receptor 1 in Complex with Estrogen Response Element Dna within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn102 b:19.9 occ:1.00 SG B:CYS59 2.3 18.2 1.0 SG B:CYS43 2.4 22.0 1.0 SG B:CYS62 2.4 18.8 1.0 SG B:CYS49 2.4 20.4 1.0 CB B:CYS49 3.2 21.4 1.0 CB B:CYS59 3.3 21.2 1.0 CB B:CYS43 3.3 21.3 1.0 CB B:CYS62 3.4 16.9 1.0 CA B:CYS43 4.1 20.5 1.0 N B:CYS49 4.1 22.2 1.0 O B:HOH205 4.1 36.6 1.0 N B:CYS62 4.1 15.7 1.0 CA B:CYS49 4.3 21.5 1.0 O B:HOH202 4.3 24.2 1.0 O A:HOH214 4.3 24.2 1.0 CA B:CYS62 4.3 16.1 1.0 CD B:PRO44 4.4 18.9 1.0 CA B:ASN47 4.5 28.0 1.0 N B:ASN47 4.6 23.8 1.0 N B:ASN48 4.7 25.9 1.0 CA B:CYS59 4.7 17.4 1.0 C B:CYS43 4.9 19.2 1.0 N B:PRO44 4.9 17.6 1.0 C B:ASN47 4.9 27.8 1.0 CB B:ALA45 5.0 23.6 1.0

A.N.Mckeown, J.T.Bridgham, D.W.Anderson, M.N.Murphy, E.A.Ortlund, J.W.Thornton. Evolution of Dna Specificity in A Transcription Factor Family Produced A New Gene Regulatory Module. Cell(Cambridge,Mass.) V. 159 58 2014.
ISSN: ISSN 0092-8674
PubMed: 25259920
DOI: 10.1016/J.CELL.2014.09.003