Chlorine in PDB 6i62: Crystal Structure of Human Errg Lbd in Complex with Hpte

The structure of Crystal Structure of Human Errg Lbd in Complex with Hpte, PDB code: 6i62 was solved by V.Delfosse, P.Blanc, W.Bourguet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.39 / 1.65
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	64.198, 64.198, 136.792, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 20

The binding sites of Chlorine atom in the Crystal Structure of Human Errg Lbd in Complex with Hpte (pdb code 6i62). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Human Errg Lbd in Complex with Hpte, PDB code: 6i62:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Human Errg Lbd in Complex with Hpte


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 Errg Lbd in Complex with Hpte within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:33.7 occ:0.62 CLD A:27N501 0.0 33.7 0.6 CAS A:27N501 1.8 31.6 1.0 CLC A:27N501 2.8 32.3 0.5 CAR A:27N501 2.9 39.4 1.0 CLE A:27N501 2.9 28.5 0.6 CAL A:27N501 3.1 32.0 1.0 CAJ A:27N501 3.3 38.5 1.0 CAQ A:27N501 3.3 33.0 1.0 CAP A:27N501 3.4 31.8 1.0 O A:LEU268 3.7 20.8 1.0 C A:LEU268 3.8 23.6 1.0 CE1 A:PHE435 3.8 30.0 1.0 CZ A:PHE435 4.0 33.1 1.0 CB A:LEU268 4.0 22.1 1.0 N A:CYS269 4.0 23.0 1.0 CB A:ALA272 4.1 20.5 1.0 CA A:CYS269 4.1 24.4 1.0 CE1 A:PHE450 4.1 31.7 1.0 SG A:CYS269 4.2 30.1 1.0 CZ A:PHE450 4.3 31.5 1.0 CD1 A:PHE435 4.3 30.1 1.0 CAH A:27N501 4.4 37.1 1.0 CAF A:27N501 4.5 42.7 1.0 CA A:LEU268 4.5 20.8 1.0 CE2 A:PHE435 4.5 31.2 1.0 CAK A:27N501 4.6 42.9 1.0 CAM A:27N501 4.7 36.9 1.0 CB A:CYS269 4.8 30.1 1.0 CG A:PHE435 4.8 24.9 1.0 CD2 A:PHE435 4.9 33.8 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Human Errg Lbd in Complex with Hpte


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 Errg Lbd in Complex with Hpte within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:28.5 occ:0.61 CLE A:27N501 0.0 28.5 0.6 CAS A:27N501 1.7 31.6 1.0 CAR A:27N501 2.6 39.4 1.0 CLC A:27N501 2.8 32.3 0.5 CLD A:27N501 2.9 33.7 0.6 CAQ A:27N501 3.0 33.0 1.0 CAL A:27N501 3.4 32.0 1.0 CD1 A:LEU309 3.5 23.3 1.0 CB A:ALA272 3.6 20.5 1.0 CE A:MET306 3.6 32.9 1.0 SD A:MET306 3.6 23.7 0.8 CAM A:27N501 3.7 36.9 1.0 CE1 A:PHE450 3.7 31.7 1.0 CAP A:27N501 3.9 31.8 1.0 CZ3 A:TRP305 4.0 32.7 1.0 CZ A:PHE450 4.4 31.5 1.0 CAH A:27N501 4.4 37.1 1.0 CH2 A:TRP305 4.6 34.4 1.0 CAI A:27N501 4.6 34.0 1.0 CAK A:27N501 4.7 42.9 1.0 CD1 A:PHE450 4.7 35.0 1.0 CAJ A:27N501 4.7 38.5 1.0 CG A:LEU309 4.8 21.9 1.0 CB A:LEU309 4.8 17.7 1.0 CE3 A:TRP305 4.8 30.6 1.0 CAO A:27N501 4.9 29.1 1.0 CA A:ALA272 5.0 22.5 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Human Errg Lbd in Complex with Hpte


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 Errg Lbd in Complex with Hpte within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:32.3 occ:0.54 CLC A:27N501 0.0 32.3 0.5 CAS A:27N501 1.7 31.6 1.0 CAR A:27N501 2.6 39.4 1.0 CLE A:27N501 2.8 28.5 0.6 CLD A:27N501 2.8 33.7 0.6 CAP A:27N501 2.9 31.8 1.0 CD2 A:PHE435 3.2 33.8 1.0 CE2 A:PHE435 3.2 31.2 1.0 CE A:MET306 3.4 32.9 1.0 CAK A:27N501 3.4 42.9 1.0 CG A:PHE435 3.5 24.9 1.0 CZ A:PHE435 3.6 33.1 1.0 CAJ A:27N501 3.6 38.5 1.0 SD A:MET306 3.9 23.7 0.8 CAQ A:27N501 3.9 33.0 1.0 CD1 A:PHE435 3.9 30.1 1.0 CE1 A:PHE435 4.0 30.0 1.0 CB A:PHE435 4.4 28.7 1.0 CAG A:27N501 4.4 39.8 1.0 CAF A:27N501 4.6 42.7 1.0 CAL A:27N501 4.7 32.0 1.0 CB A:ALA431 4.7 26.6 1.0 CZ A:PHE450 4.7 31.5 1.0 O A:ALA431 4.8 29.6 1.0 CAM A:27N501 4.8 36.9 1.0 CE1 A:PHE450 4.9 31.7 1.0 CAN A:27N501 4.9 38.7 1.0

E.Thouennon, V.Delfosse, R.Bailly, P.Blanc, A.Boulahtouf, M.Grimaldi, A.Barducci, W.Bourguet, P.Balaguer. Insights Into the Activation Mechanism of Human Estrogen-Related Receptor Gamma By Environmental Endocrine Disruptors. Cell.Mol.Life Sci. V. 76 4769 2019.
ISSN: ESSN 1420-9071
PubMed: 31127318
DOI: 10.1007/S00018-019-03129-X