Chlorine in PDB 7ndo: Er-Prs*(-) (L536S, L372R) in Complex with Raloxifene

The structure of Er-Prs*(-) (L536S, L372R) in Complex with Raloxifene, PDB code: 7ndo 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)	42.80 / 1.60
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	48.581, 51.787, 57.513, 97.84, 113.52, 110.42
R / Rfree (%)	18.5 / 19.5

The binding sites of Chlorine atom in the Er-Prs*(-) (L536S, L372R) in Complex with Raloxifene (pdb code 7ndo). 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*(-) (L536S, L372R) in Complex with Raloxifene, PDB code: 7ndo:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Er-Prs*(-) (L536S, L372R) in Complex with Raloxifene


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Er-Prs*(-) (L536S, L372R) in Complex with Raloxifene within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl605 b:29.4 occ:1.00 H A:TYR328 2.3 33.5 1.0 O A:HOH789 2.9 19.3 1.0 HA A:LEU327 3.1 33.1 1.0 HD23 A:LEU327 3.1 32.3 1.0 N A:TYR328 3.1 27.9 1.0 HH12 A:ARG352 3.2 32.6 1.0 HB2 A:TYR328 3.2 36.9 1.0 HB3 A:LEU327 3.3 31.2 1.0 HH11 A:ARG352 3.4 32.6 1.0 NH1 A:ARG352 3.6 27.2 1.0 O A:HOH802 3.7 56.4 1.0 CA A:LEU327 3.8 27.6 1.0 HD1 A:TYR328 3.8 38.7 1.0 CB A:LEU327 3.9 26.0 1.0 C A:LEU327 4.0 27.4 1.0 CD2 A:LEU327 4.0 26.9 1.0 CB A:TYR328 4.0 30.8 1.0 O A:TYR328 4.0 31.8 1.0 CA A:TYR328 4.0 29.2 1.0 HD21 A:LEU327 4.1 32.3 1.0 C A:TYR328 4.5 29.1 1.0 CG A:LEU327 4.5 28.5 1.0 CD1 A:TYR328 4.6 32.3 1.0 HD13 A:LEU327 4.6 36.0 1.0 HD22 A:LEU327 4.7 32.3 1.0 HB3 A:TYR328 4.7 36.9 1.0 HB2 A:LEU327 4.7 31.2 1.0 CG A:TYR328 4.8 32.0 1.0 CZ A:ARG352 4.9 27.9 1.0 HA A:TYR328 4.9 35.0 1.0 HD2 A:ARG352 5.0 35.8 1.0 O A:ILE326 5.0 30.7 1.0

Chlorine binding site 2 out of 3 in the Er-Prs*(-) (L536S, L372R) in Complex with Raloxifene


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Er-Prs*(-) (L536S, L372R) in Complex with Raloxifene within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl606 b:26.6 occ:1.00 HE2 A:HIS356 2.2 30.3 1.0 NE2 A:HIS356 3.0 25.3 1.0 O A:HOH755 3.0 29.7 1.0 O A:HOH789 3.0 19.3 1.0 HD22 A:LEU327 3.7 32.3 1.0 HB3 A:ARG352 3.8 32.8 1.0 HD13 A:LEU327 3.9 36.0 1.0 HD23 A:LEU327 3.9 32.3 1.0 CD2 A:HIS356 3.9 24.3 1.0 CE1 A:HIS356 3.9 25.8 1.0 HD2 A:HIS356 4.0 29.2 1.0 HD2 A:ARG352 4.0 35.8 1.0 HE1 A:HIS356 4.0 30.9 1.0 HD11 A:LEU327 4.1 36.0 1.0 CD2 A:LEU327 4.3 26.9 1.0 CD1 A:LEU327 4.4 30.0 1.0 HG2 A:ARG352 4.4 35.9 1.0 HH11 A:ARG352 4.6 32.6 1.0 CB A:ARG352 4.7 27.4 1.0 CD A:ARG352 4.8 29.9 1.0 O A:ARG352 4.8 28.9 1.0 CG A:ARG352 4.8 29.9 1.0

Chlorine binding site 3 out of 3 in the Er-Prs*(-) (L536S, L372R) in Complex with Raloxifene


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Er-Prs*(-) (L536S, L372R) in Complex with Raloxifene within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl607 b:66.4 occ:1.00 HG A:SER493 3.4 55.6 1.0 OE2 A:GLU444 3.4 32.5 1.0 HB2 A:SER493 3.5 56.1 1.0 HE2 A:TYR489 3.6 45.4 1.0 HD13 A:LEU495 3.6 57.6 1.0 HB3 A:SER493 3.6 56.1 1.0 HE A:ARG503 3.7 42.4 1.0 HG A:LEU495 3.8 59.0 1.0 HA A:MET490 3.9 44.3 1.0 CB A:SER493 3.9 46.8 1.0 HG2 A:MET490 3.9 43.0 1.0 NE A:ARG503 3.9 35.4 1.0 O A:HOH754 3.9 44.7 1.0 OG A:SER493 4.0 46.3 1.0 HD3 A:ARG503 4.1 39.0 1.0 HG3 A:GLN441 4.1 45.9 1.0 CD A:GLU444 4.2 33.7 1.0 CE2 A:TYR489 4.2 37.9 1.0 HG2 A:GLN441 4.3 45.9 1.0 HD22 A:LEU495 4.3 64.4 1.0 CD1 A:LEU495 4.3 48.0 1.0 HH21 A:ARG503 4.3 43.2 1.0 CZ A:ARG503 4.3 37.6 1.0 HD11 A:LEU495 4.4 57.6 1.0 HD2 A:ARG503 4.4 39.0 1.0 CD A:ARG503 4.4 32.5 1.0 CG A:LEU495 4.4 49.1 1.0 NH2 A:ARG503 4.5 36.0 1.0 OE1 A:GLU444 4.5 31.9 1.0 HD2 A:TYR489 4.6 42.0 1.0 CG A:GLN441 4.7 38.3 1.0 CA A:MET490 4.8 36.9 1.0 CD2 A:TYR489 4.8 35.0 1.0 CG A:MET490 4.8 35.9 1.0 CD2 A:LEU495 4.8 53.6 1.0 HB3 A:MET490 4.9 43.2 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