Fluorine in PDB 6k3e: LSD1/Co-Rest Structure with An Inhibitor

The structure of LSD1/Co-Rest Structure with An Inhibitor, PDB code: 6k3e was solved by J.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	76.46 / 2.87
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	121.510, 179.440, 234.410, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 22.9

The structure of LSD1/Co-Rest Structure with An Inhibitor also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Fluorine atom in the LSD1/Co-Rest Structure with An Inhibitor (pdb code 6k3e). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the LSD1/Co-Rest Structure with An Inhibitor, PDB code: 6k3e:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the LSD1/Co-Rest Structure with An Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of LSD1/Co-Rest Structure with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F901 b:0.6 occ:0.50 F18 A:CW0901 0.0 0.6 0.5 C17 A:CVO929 1.0 0.0 0.5 C14 A:CVO929 1.4 0.1 0.5 C14 A:CW0901 1.4 0.4 0.5 F18 A:CVO929 1.6 0.5 0.5 N19 A:CVO929 1.8 0.5 0.5 C15 A:CVO929 1.9 1.0 0.5 C17 A:CW0901 1.9 0.1 0.5 C13 A:CW0901 2.0 0.5 0.5 C15 A:CW0901 2.0 0.2 0.5 C12 A:CW0901 2.5 0.9 0.5 C13 A:CVO929 2.8 0.4 0.5 C16 A:CW0901 3.1 0.5 0.5 N19 A:CW0901 3.2 0.4 0.5 N10 A:CW0901 3.2 0.3 0.5 C16 A:CVO929 3.3 0.5 0.5 C12 A:CVO929 3.5 0.8 0.5 N10 A:CVO929 3.8 0.6 0.5 CCJ A:D3U911 4.0 95.6 1.0 C20 A:CW0901 4.1 0.4 1.0 CCI A:D3U911 4.2 86.5 1.0 ND1 A:HIS564 4.3 96.0 1.0 CG1 A:VAL333 4.3 0.6 1.0 C22 A:CW0901 4.4 0.8 1.0 C9 A:CW0901 4.5 0.1 0.5 CZ A:PHE538 4.5 0.2 1.0 CCE A:D3U911 4.6 0.2 1.0 CG2 A:VAL333 4.6 0.1 1.0 CE1 A:HIS564 4.7 0.4 1.0 CE2 A:PHE538 4.7 0.1 1.0 CB A:VAL333 4.7 0.7 1.0 CCD A:D3U911 5.0 1.0 1.0 CCB A:D3U911 5.0 0.5 1.0

Fluorine binding site 2 out of 2 in the LSD1/Co-Rest Structure with An Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of LSD1/Co-Rest Structure with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F929 b:0.5 occ:0.50 F18 A:CVO929 0.0 0.5 0.5 C15 A:CW0901 1.3 0.2 0.5 C14 A:CVO929 1.4 0.1 0.5 F18 A:CW0901 1.6 0.6 0.5 C17 A:CVO929 1.9 0.0 0.5 C13 A:CVO929 2.0 0.4 0.5 C15 A:CVO929 2.0 1.0 0.5 C16 A:CW0901 2.1 0.5 0.5 C14 A:CW0901 2.1 0.4 0.5 C12 A:CVO929 2.1 0.8 0.5 N10 A:CW0901 2.2 0.3 0.5 C12 A:CW0901 2.2 0.9 0.5 C13 A:CW0901 2.6 0.5 0.5 N10 A:CVO929 2.6 0.6 0.5 C16 A:CVO929 2.8 0.5 0.5 C17 A:CW0901 3.2 0.1 0.5 N19 A:CVO929 3.3 0.5 0.5 C9 A:CW0901 3.4 0.1 0.5 CE1 A:HIS564 3.6 0.4 1.0 CCI A:D3U911 3.6 86.5 1.0 ND1 A:HIS564 3.7 96.0 1.0 C9 A:CVO929 3.8 0.5 0.5 CCJ A:D3U911 3.9 95.6 1.0 O11 A:CW0901 4.0 0.0 0.5 N19 A:CW0901 4.0 0.4 0.5 O11 A:CVO929 4.2 0.5 0.5 O8 A:CW0901 4.3 0.2 0.5 CCH A:D3U911 4.4 94.3 1.0 CG2 A:THR335 4.7 0.6 1.0 O8 A:CVO929 4.7 0.8 0.5 CG1 A:VAL333 4.7 0.6 1.0 C20 A:CW0901 4.8 0.4 1.0 NE2 A:HIS564 4.8 0.4 1.0 CCE A:D3U911 4.9 0.2 1.0 CG A:HIS564 4.9 92.9 1.0

W.Jiang, J.Wang. N/A N/A.