Fluorine in PDB 8inl: LSD1 in Complex with S2172

All present enzymatic activity of LSD1 in Complex with S2172:
1.14.99.66;

The structure of LSD1 in Complex with S2172, PDB code: 8inl was solved by H.Niwa, S.Sato, T.Umehara, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.21 / 2.62
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	187.101, 187.101, 106.945, 90, 90, 120
R / Rfree (%)	18 / 21.6

The binding sites of Fluorine atom in the LSD1 in Complex with S2172 (pdb code 8inl). 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 in Complex with S2172, PDB code: 8inl:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the LSD1 in Complex with S2172


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of LSD1 in Complex with S2172 within 5.0Å range: probe atom residue distance (Å) B Occ A:F907 b:83.7 occ:1.00 F A:DJ0907 0.0 83.7 1.0 C32 A:DJ0907 1.3 89.6 1.0 C33 A:DJ0907 2.3 91.2 1.0 C31 A:DJ0907 2.4 85.9 1.0 O16 A:DJ0907 2.8 84.1 1.0 C36 A:DJ0907 2.8 84.7 1.0 C42 A:DJ0907 2.9 95.0 1.0 C37 A:DJ0907 3.0 102.9 1.0 CG2 A:THR335 3.0 75.0 1.0 C34 A:DJ0907 3.6 88.9 1.0 C30 A:DJ0907 3.6 74.9 1.0 C41 A:DJ0907 3.9 97.2 1.0 C38 A:DJ0907 4.1 99.5 1.0 C35 A:DJ0907 4.1 79.6 1.0 CB A:THR335 4.3 72.9 1.0 F1 A:DJ0907 4.7 83.5 1.0 C40 A:DJ0907 4.8 97.0 1.0 OG1 A:THR335 4.8 70.4 1.0 CG2 A:THR810 4.8 52.1 1.0 C39 A:DJ0907 4.9 94.8 1.0 CE1 A:HIS564 4.9 77.8 1.0 C29 A:DJ0907 4.9 66.8 1.0 N3 A:FAD908 5.0 54.9 1.0

Fluorine binding site 2 out of 2 in the LSD1 in Complex with S2172


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of LSD1 in Complex with S2172 within 5.0Å range: probe atom residue distance (Å) B Occ A:F907 b:83.5 occ:1.00 F1 A:DJ0907 0.0 83.5 1.0 C34 A:DJ0907 1.4 88.9 1.0 C33 A:DJ0907 2.3 91.2 1.0 C35 A:DJ0907 2.3 79.6 1.0 O A:ALA809 3.2 68.1 1.0 CB A:ALA809 3.2 51.8 1.0 C32 A:DJ0907 3.6 89.6 1.0 C A:ALA809 3.6 63.5 1.0 C30 A:DJ0907 3.6 74.9 1.0 O A:PRO808 3.7 67.5 1.0 CG2 A:THR810 3.7 52.1 1.0 CA A:ALA809 4.0 64.3 1.0 C31 A:DJ0907 4.1 85.9 1.0 N A:THR810 4.4 62.6 1.0 O A:ALA539 4.6 73.9 1.0 C A:PRO808 4.6 65.6 1.0 CE2 A:TYR761 4.6 61.4 1.0 F A:DJ0907 4.7 83.7 1.0 CD2 A:TYR761 4.7 62.5 1.0 N A:ALA809 4.8 66.2 1.0 CA A:THR810 4.8 52.4 1.0 C29 A:DJ0907 4.8 66.8 1.0 CB A:THR810 4.9 62.4 1.0

H.Niwa, S.Sato, T.Umehara. LSD1 in Complex with S2172 To Be Published.