Chlorine in PDB 7nfb: Er-Prs*(+) (Y537S) in Complex with Genistein and Src-2 Coactivator Peptide

The structure of Er-Prs*(+) (Y537S) in Complex with Genistein and Src-2 Coactivator Peptide, PDB code: 7nfb was solved by M.Kriegel, Y.A.Muller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.73 / 1.33
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	55.854, 81.526, 58.464, 90, 108.46, 90
R / Rfree (%)	14.2 / 17.8

The structure of Er-Prs*(+) (Y537S) in Complex with Genistein and Src-2 Coactivator Peptide also contains other interesting chemical elements:

Sodium

(Na)

3 atoms

The binding sites of Chlorine atom in the Er-Prs*(+) (Y537S) in Complex with Genistein and Src-2 Coactivator Peptide (pdb code 7nfb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Er-Prs*(+) (Y537S) in Complex with Genistein and Src-2 Coactivator Peptide, PDB code: 7nfb:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Er-Prs*(+) (Y537S) in Complex with Genistein and Src-2 Coactivator Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Er-Prs*(+) (Y537S) in Complex with Genistein and Src-2 Coactivator Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl611 b:25.6 occ:1.00 HH11 A:ARG352 2.4 26.5 1.0 HD2 A:ARG352 2.8 27.8 1.0 NA A:NA603 3.0 23.9 1.0 NH1 A:ARG352 3.2 22.1 1.0 HD22 A:LEU327 3.2 25.0 1.0 HD13 A:LEU327 3.3 23.9 1.0 HH12 A:ARG352 3.5 26.5 1.0 HB3 A:LEU327 3.8 22.0 1.0 CD A:ARG352 3.8 23.1 1.0 HB3 A:ARG352 3.8 22.1 1.0 CD2 A:LEU327 4.1 20.8 1.0 HD3 A:ARG352 4.2 27.8 1.0 CD1 A:LEU327 4.2 19.9 1.0 CZ A:ARG352 4.2 22.2 1.0 HD21 A:LEU327 4.4 25.0 1.0 HE2 A:HIS356 4.4 21.7 1.0 NE A:ARG352 4.5 23.1 1.0 CG A:LEU327 4.5 19.9 1.0 HD11 A:LEU327 4.5 23.9 1.0 CB A:LEU327 4.6 18.4 1.0 CB A:ARG352 4.6 18.4 1.0 CG A:ARG352 4.6 21.1 1.0 HG2 A:ARG352 4.6 25.3 1.0 HD23 A:LEU327 4.8 25.0 1.0 H A:TYR328 4.8 23.1 1.0 O A:HOH829 4.8 19.7 1.0 HD12 A:LEU327 4.8 23.9 1.0 HB2 A:ARG352 4.9 22.1 1.0

Chlorine binding site 2 out of 3 in the Er-Prs*(+) (Y537S) in Complex with Genistein and Src-2 Coactivator Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Er-Prs*(+) (Y537S) in Complex with Genistein and Src-2 Coactivator Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl612 b:51.6 occ:1.00 HH22 B:ARG412 2.4 36.5 1.0 HZ2 B:LYS416 2.5 40.9 1.0 HH12 B:ARG412 2.6 35.7 1.0 HE2 B:LYS416 3.0 39.5 1.0 NH2 B:ARG412 3.2 30.4 1.0 NZ B:LYS416 3.2 34.1 1.0 NH1 B:ARG412 3.3 29.8 1.0 HZ1 B:LYS416 3.4 40.9 1.0 CE B:LYS416 3.5 32.9 1.0 HE3 B:LYS416 3.6 39.5 1.0 CZ B:ARG412 3.7 29.4 1.0 HH21 B:ARG412 3.9 36.5 1.0 HZ3 B:LYS416 3.9 40.9 1.0 HH11 B:ARG412 4.0 35.7 1.0 HG21 B:VAL422 4.7 29.9 1.0 CD B:LYS416 4.9 30.5 1.0

Chlorine binding site 3 out of 3 in the Er-Prs*(+) (Y537S) in Complex with Genistein and Src-2 Coactivator Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Er-Prs*(+) (Y537S) in Complex with Genistein and Src-2 Coactivator Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl613 b:66.9 occ:1.00 H B:LEU306 2.3 57.2 1.0 HB2 B:LEU306 3.1 55.9 1.0 N B:LEU306 3.2 47.7 1.0 HB3 B:LEU306 3.3 55.9 1.0 O B:HOH799 3.4 47.4 1.0 HB2 B:SER305 3.4 65.9 1.0 HA B:SER305 3.4 66.5 1.0 CB B:LEU306 3.6 46.6 1.0 CA B:LEU306 4.0 44.2 1.0 CA B:SER305 4.0 55.4 1.0 C B:SER305 4.1 51.3 1.0 CB B:SER305 4.1 54.9 1.0 H B:ALA307 4.4 45.7 1.0 HA B:LEU306 4.6 53.1 1.0 HB3 B:SER305 4.7 65.9 1.0 HD22 B:LEU306 4.8 59.2 1.0 CG B:LEU306 4.9 48.8 1.0

M.Kriegel, H.J.Wiederanders, S.Alkhashrom, J.Eichler, Y.A.Muller. A Pross-Designed Extensively Mutated Estrogen Receptor Alpha Variant Displays Enhanced Thermal Stability While Retaining Native Allosteric Regulation and Structure. Sci Rep V. 11 10509 2021.
ISSN: ESSN 2045-2322
PubMed: 34006920
DOI: 10.1038/S41598-021-89785-1