Fluorine in PDB 3abu: Crystal Structure of LSD1 in Complex with A 2-Pcpa Derivative, S1201

The structure of Crystal Structure of LSD1 in Complex with A 2-Pcpa Derivative, S1201, PDB code: 3abu was solved by S.Mimasu, N.Umezawa, S.Sato, T.Higuchi, T.Umehara, S.Yokoyama, Rikenstructural Genomics/Proteomics Initiative (Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.71 / 3.10
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	183.700, 183.700, 109.250, 90.00, 90.00, 120.00
R / Rfree (%)	24.2 / 29.5

The binding sites of Fluorine atom in the Crystal Structure of LSD1 in Complex with A 2-Pcpa Derivative, S1201 (pdb code 3abu). 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 LSD1 in Complex with A 2-Pcpa Derivative, S1201, PDB code: 3abu:

Fluorine binding site 1 out of 1 in the Crystal Structure of LSD1 in Complex with A 2-Pcpa Derivative, S1201


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 LSD1 in Complex with A 2-Pcpa Derivative, S1201 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1 b:33.5 occ:1.00 FBR A:12F1 0.0 33.5 1.0 CAQ A:12F1 1.3 32.1 1.0 CAP A:12F1 2.3 31.5 1.0 CAO A:12F1 2.4 31.5 1.0 O01 A:12F1 2.8 32.3 1.0 C07 A:12F1 3.0 30.9 1.0 C01 A:12F1 3.0 31.5 1.0 C06 A:12F1 3.1 30.9 1.0 CG2 A:THR335 3.2 34.3 1.0 CAN A:12F1 3.6 31.5 1.0 CAM A:12F1 3.6 31.1 1.0 C02 A:12F1 3.8 31.9 1.0 C05 A:12F1 3.9 30.9 1.0 CAL A:12F1 4.1 31.6 1.0 CG2 A:THR810 4.3 26.6 1.0 CB A:THR335 4.4 36.4 1.0 C03 A:12F1 4.4 31.5 1.0 C04 A:12F1 4.5 30.2 1.0 OG1 A:THR335 4.7 34.2 1.0 NBZ A:12F1 4.7 25.4 1.0 CBC A:12F1 5.0 25.8 1.0 CBL A:12F1 5.0 29.1 1.0

S.Mimasu, N.Umezawa, S.Sato, T.Higuchi, T.Umehara, S.Yokoyama. Structurally Designed Trans-2-Phenylcyclopropylamine Derivatives Potently Inhibit Histone Demethylase LSD1/KDM1 Biochemistry V. 49 6494 2010.
ISSN: ISSN 0006-2960
PubMed: 20568732
DOI: 10.1021/BI100299R