Fluorine in PDB 6k3n: Crystal Structure of Human Estrogen-Related Receptor Gamma Ligand Binding Domain Complex with Bpa-Monof

The structure of Crystal Structure of Human Estrogen-Related Receptor Gamma Ligand Binding Domain Complex with Bpa-Monof, PDB code: 6k3n was solved by A.Matsushima, T.Nose, Y.Kakuta, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.86 / 1.97
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	63.666, 63.666, 132.212, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 25.3

The binding sites of Fluorine atom in the Crystal Structure of Human Estrogen-Related Receptor Gamma Ligand Binding Domain Complex with Bpa-Monof (pdb code 6k3n). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of Human Estrogen-Related Receptor Gamma Ligand Binding Domain Complex with Bpa-Monof, PDB code: 6k3n:

Fluorine binding site 1 out of 1 in the Crystal Structure of Human Estrogen-Related Receptor Gamma Ligand Binding Domain Complex with Bpa-Monof


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Human Estrogen-Related Receptor Gamma Ligand Binding Domain Complex with Bpa-Monof within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:30.0 occ:1.00 F18 A:CW6501 0.0 30.0 1.0 C7 A:CW6501 1.3 26.6 1.0 C6 A:CW6501 2.3 24.1 1.0 C8 A:CW6501 2.3 27.9 1.0 O1 A:CW6501 2.7 26.7 1.0 OH A:TYR326 2.8 27.3 1.0 OD1 A:ASN346 3.1 25.6 1.0 CZ A:TYR326 3.2 27.4 1.0 CD1 A:LEU342 3.5 34.0 1.0 C1 A:CW6501 3.6 24.2 1.0 C9 A:CW6501 3.6 25.1 1.0 CE2 A:TYR326 3.7 21.4 1.0 CE1 A:TYR326 3.8 26.1 1.0 CD1 A:LEU268 3.9 24.1 1.0 CG A:ASN346 3.9 28.2 1.0 ND2 A:ASN346 3.9 27.1 1.0 C10 A:CW6501 4.0 27.6 1.0 CD2 A:LEU342 4.2 26.7 1.0 CG A:LEU342 4.2 32.5 1.0 SD A:MET332 4.4 35.3 1.0 CB A:LEU342 4.5 29.8 1.0 CD2 A:LEU268 4.7 24.0 1.0 CD2 A:TYR326 4.7 21.8 1.0 CZ A:PHE435 4.7 30.4 1.0 CG A:LEU268 4.8 20.1 1.0 CD1 A:TYR326 4.8 19.9 1.0 C2 A:CW6501 4.8 26.6 1.0 CE1 A:PHE435 5.0 27.1 1.0

K.Suyama, S.Kaneko, H.Kesamaru, X.Liu, A.Matsushima, Y.Kakuta, T.Okubo, K.Kasatani, T.Nose. Evaluation of the Influence of Halogenation on the Binding of Bisphenol A to the Estrogen-Related Receptor Gamma. Chem.Res.Toxicol. V. 33 889 2020.
ISSN: ISSN 0893-228X
PubMed: 32105061
DOI: 10.1021/ACS.CHEMRESTOX.9B00379