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

The structure of Er-Prs*(+) (Y537S) in Complex with Estradiol and Src-2 Coactivator Peptide, PDB code: 7nel 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)	26.41 / 1.45
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	55.8, 82.77, 58.69, 90, 108.82, 90
R / Rfree (%)	14.9 / 18.6

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

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Er-Prs*(+) (Y537S) in Complex with Estradiol and Src-2 Coactivator Peptide (pdb code 7nel). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Er-Prs*(+) (Y537S) in Complex with Estradiol and Src-2 Coactivator Peptide, PDB code: 7nel:

Chlorine binding site 1 out of 1 in the Er-Prs*(+) (Y537S) in Complex with Estradiol 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 Estradiol and Src-2 Coactivator Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl603 b:25.4 occ:1.00 HH11 B:ARG352 2.4 32.6 1.0 HD2 B:ARG352 2.8 31.6 1.0 O B:HOH837 3.0 22.8 1.0 HD22 B:LEU327 3.1 30.9 1.0 NA B:NA602 3.1 27.8 1.0 NH1 B:ARG352 3.2 27.1 1.0 HD13 B:LEU327 3.2 28.6 1.0 HH12 B:ARG352 3.5 32.6 1.0 HB3 B:LEU327 3.6 28.6 1.0 CD B:ARG352 3.8 26.3 1.0 HB3 B:ARG352 3.9 29.7 1.0 CD2 B:LEU327 4.0 25.8 1.0 HD3 B:ARG352 4.1 31.6 1.0 CD1 B:LEU327 4.1 23.8 1.0 HD21 B:LEU327 4.3 30.9 1.0 CZ B:ARG352 4.3 27.5 1.0 CG B:LEU327 4.4 24.6 1.0 CB B:LEU327 4.4 23.8 1.0 NE B:ARG352 4.5 27.9 1.0 HD11 B:LEU327 4.5 28.6 1.0 CG B:ARG352 4.6 26.0 1.0 HG2 B:ARG352 4.6 31.2 1.0 CB B:ARG352 4.7 24.8 1.0 HD23 B:LEU327 4.7 30.9 1.0 H B:TYR328 4.7 28.7 1.0 HD12 B:LEU327 4.8 28.6 1.0 HA B:LEU327 4.9 28.9 1.0 HB2 B:ARG352 4.9 29.7 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