Chlorine in PDB 6hmu: Ternary Complex of Estrogen Receptor Alpha Peptide and 14-3-3 Sigma C45 Mutant Bound to Disulfide Fragment Ppi Stabilizer 6

The structure of Ternary Complex of Estrogen Receptor Alpha Peptide and 14-3-3 Sigma C45 Mutant Bound to Disulfide Fragment Ppi Stabilizer 6, PDB code: 6hmu was solved by E.Sijbesma, K.K.Hallenbeck, S.Leysen, M.R.Arkin, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.93 / 1.20
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.856, 112.402, 62.582, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 20.6

The structure of Ternary Complex of Estrogen Receptor Alpha Peptide and 14-3-3 Sigma C45 Mutant Bound to Disulfide Fragment Ppi Stabilizer 6 also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Ternary Complex of Estrogen Receptor Alpha Peptide and 14-3-3 Sigma C45 Mutant Bound to Disulfide Fragment Ppi Stabilizer 6 (pdb code 6hmu). 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 Ternary Complex of Estrogen Receptor Alpha Peptide and 14-3-3 Sigma C45 Mutant Bound to Disulfide Fragment Ppi Stabilizer 6, PDB code: 6hmu:

Chlorine binding site 1 out of 1 in the Ternary Complex of Estrogen Receptor Alpha Peptide and 14-3-3 Sigma C45 Mutant Bound to Disulfide Fragment Ppi Stabilizer 6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ternary Complex of Estrogen Receptor Alpha Peptide and 14-3-3 Sigma C45 Mutant Bound to Disulfide Fragment Ppi Stabilizer 6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:19.3 occ:0.75 CL A:GE8303 0.0 19.3 0.8 C15 A:GE8303 1.8 18.2 0.8 C17 A:GE8303 2.7 19.6 0.8 C14 A:GE8303 2.8 18.5 0.8 CD A:LYS122 3.6 9.5 1.0 CE A:LYS122 3.7 10.8 1.0 CA A:ILE168 3.8 9.8 1.0 O A:HOH610 3.9 20.4 1.0 C18 A:GE8303 4.0 19.8 0.8 CG2 A:ILE168 4.1 12.2 1.0 C13 A:GE8303 4.1 19.2 0.8 CD2 A:PHE119 4.1 18.2 1.0 CG1 A:ILE168 4.1 13.0 1.0 NZ A:LYS122 4.1 11.9 1.0 CB A:ILE168 4.2 11.3 1.0 CE2 A:PHE119 4.2 22.9 1.0 O A:ILE168 4.3 9.2 1.0 C A:ILE168 4.5 8.4 1.0 O A:PRO167 4.6 9.6 1.0 C12 A:GE8303 4.6 18.9 0.8 N A:ILE168 4.7 9.3 1.0 CA A:GLY171 4.9 9.2 1.0 N A:LEU172 5.0 7.7 1.0

E.Sijbesma, K.K.Hallenbeck, S.Leysen, P.J.De Vink, L.Skora, W.Jahnke, L.Brunsveld, M.R.Arkin, C.Ottmann. Site-Directed Fragment-Based Screening For the Discovery of Protein-Protein Interaction Stabilizers. J. Am. Chem. Soc. V. 141 3524 2019.
ISSN: ESSN 1520-5126
PubMed: 30707565
DOI: 10.1021/JACS.8B11658