Chlorine in PDB 3q95: Crystal Structure of Human Estrogen Receptor Alpha Lbd in Complex with Grip Peptide and Estriol

The structure of Crystal Structure of Human Estrogen Receptor Alpha Lbd in Complex with Grip Peptide and Estriol, PDB code: 3q95 was solved by S.S.Rajan, Y.Kim, K.Vanek, A.Joachimiak, G.L.Greene, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.05
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.528, 81.865, 58.886, 90.00, 111.13, 90.00
R / Rfree (%)	19.6 / 24.1

The binding sites of Chlorine atom in the Crystal Structure of Human Estrogen Receptor Alpha Lbd in Complex with Grip Peptide and Estriol (pdb code 3q95). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Human Estrogen Receptor Alpha Lbd in Complex with Grip Peptide and Estriol, PDB code: 3q95:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Human Estrogen Receptor Alpha Lbd in Complex with Grip Peptide and Estriol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Estrogen Receptor Alpha Lbd in Complex with Grip Peptide and Estriol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl555 b:33.2 occ:1.00 O A:HOH22 2.9 17.6 1.0 O A:HOH7 3.1 18.6 1.0 NH1 A:ARG352 3.1 37.5 1.0 CD A:ARG352 3.7 35.8 1.0 CD2 A:LEU327 3.9 26.3 1.0 CD1 A:LEU327 3.9 19.7 1.0 CZ A:ARG352 4.2 40.3 1.0 CG A:LEU327 4.3 27.6 1.0 NE A:ARG352 4.4 38.2 1.0 CG A:ARG352 4.4 29.9 1.0 CB A:LEU327 4.4 28.3 1.0 CB A:ARG352 4.5 24.4 1.0 O A:HOH23 4.8 18.8 1.0 O A:HOH17 4.9 22.3 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Human Estrogen Receptor Alpha Lbd in Complex with Grip Peptide and Estriol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human Estrogen Receptor Alpha Lbd in Complex with Grip Peptide and Estriol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:66.4 occ:1.00 O A:HOH76 3.4 32.8 1.0 CB A:SER338 3.8 39.1 1.0 N A:GLU339 3.9 39.9 1.0 CA A:SER338 4.2 39.2 1.0 CB A:GLU339 4.5 40.6 1.0 C A:SER338 4.6 38.5 1.0 OG A:SER338 4.9 39.0 1.0 CA A:GLU339 4.9 39.9 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Human Estrogen Receptor Alpha Lbd in Complex with Grip Peptide and Estriol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Human Estrogen Receptor Alpha Lbd in Complex with Grip Peptide and Estriol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl702 b:63.0 occ:1.00 N A:LEU497 3.4 39.3 1.0 CB A:THR496 3.6 40.0 1.0 CA A:THR496 3.7 39.0 1.0 CG A:LEU497 4.0 46.1 1.0 C A:THR496 4.1 38.8 1.0 CG2 A:THR496 4.2 39.9 1.0 CB A:LEU497 4.2 40.6 1.0 CD1 A:LEU497 4.4 48.8 1.0 CA A:LEU497 4.4 39.9 1.0 OG1 A:THR496 4.7 40.6 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Human Estrogen Receptor Alpha Lbd in Complex with Grip Peptide and Estriol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Human Estrogen Receptor Alpha Lbd in Complex with Grip Peptide and Estriol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl703 b:58.8 occ:1.00 NZ A:LYS416 3.3 53.4 1.0 NH1 A:ARG412 3.5 44.6 1.0 CE A:LYS416 3.8 51.9 1.0 NZ B:LYS467 3.8 56.4 1.0 NH2 A:ARG412 3.9 42.7 1.0 CZ A:ARG412 4.2 42.2 1.0 CE B:LYS467 4.8 56.3 1.0

S.S.Rajan, Y.Kim, K.Vanek, A.Joachimiak, G.L.Greene. Crystal Structure of Human Estrogen Receptor Alpha Lbd in Complex with Grip Peptide and Estriol To Be Published.