Fluorine in PDB 6fne: Structure of BRAG2

The structure of Structure of BRAG2, PDB code: 6fne was solved by A.Nawrotek, M.Zeghouf, J.Cherfils, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	63.33 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.912, 66.161, 218.823, 90.00, 90.00, 90.00
R / Rfree (%)	21.8 / 28

The binding sites of Fluorine atom in the Structure of BRAG2 (pdb code 6fne). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Structure of BRAG2, PDB code: 6fne:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Structure of BRAG2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of BRAG2 within 5.0Å range: probe atom residue distance (Å) B Occ A:F801 b:80.0 occ:1.00 F14 A:DY5801 0.0 80.0 1.0 C13 A:DY5801 1.3 73.0 1.0 F16 A:DY5801 2.2 77.4 1.0 F15 A:DY5801 2.2 77.5 1.0 C09 A:DY5801 2.4 43.7 1.0 N A:HIS652 2.7 41.9 1.0 O08 A:DY5801 3.1 65.8 1.0 C10 A:DY5801 3.3 40.6 1.0 CA A:HIS652 3.3 40.6 1.0 C A:LEU651 3.8 47.4 1.0 CA A:LEU651 4.0 43.0 1.0 CD1 A:LEU651 4.0 49.6 1.0 CG A:LEU651 4.1 47.4 1.0 C05 A:DY5801 4.3 64.8 1.0 C A:HIS652 4.3 42.3 1.0 N A:GLN653 4.3 38.2 1.0 CG A:HIS652 4.4 45.2 1.0 CB A:HIS652 4.4 41.5 1.0 ND1 A:HIS652 4.5 47.1 1.0 C11 A:DY5801 4.6 58.0 1.0 NZ A:LYS667 4.6 87.5 1.0 CB A:LEU651 4.6 42.7 1.0 NH1 A:ARG654 4.8 41.1 1.0 O A:LEU651 4.9 48.6 1.0 C04 A:DY5801 4.9 64.8 1.0 CD2 A:HIS652 5.0 47.3 1.0 O A:GLY650 5.0 51.1 1.0

Fluorine binding site 2 out of 3 in the Structure of BRAG2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of BRAG2 within 5.0Å range: probe atom residue distance (Å) B Occ A:F801 b:77.5 occ:1.00 F15 A:DY5801 0.0 77.5 1.0 C13 A:DY5801 1.4 73.0 1.0 F16 A:DY5801 2.2 77.4 1.0 F14 A:DY5801 2.2 80.0 1.0 C09 A:DY5801 2.4 43.7 1.0 C10 A:DY5801 2.8 40.6 1.0 O08 A:DY5801 3.2 65.8 1.0 C11 A:DY5801 3.5 58.0 1.0 C05 A:DY5801 3.8 64.8 1.0 C04 A:DY5801 3.9 64.8 1.0 ND1 A:HIS652 4.2 47.1 1.0 CD1 A:LEU651 4.2 49.6 1.0 N A:HIS652 4.3 41.9 1.0 CG A:LEU651 4.3 47.4 1.0 CE1 A:HIS652 4.3 46.6 1.0 O12 A:DY5801 4.4 61.5 1.0 CG A:HIS652 4.7 45.2 1.0 CA A:HIS652 4.7 40.6 1.0 C06 A:DY5801 4.8 65.3 1.0 NE2 A:HIS652 4.9 47.1 1.0

Fluorine binding site 3 out of 3 in the Structure of BRAG2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of BRAG2 within 5.0Å range: probe atom residue distance (Å) B Occ A:F801 b:77.4 occ:1.00 F16 A:DY5801 0.0 77.4 1.0 C13 A:DY5801 1.4 73.0 1.0 F15 A:DY5801 2.2 77.5 1.0 F14 A:DY5801 2.2 80.0 1.0 O08 A:DY5801 2.3 65.8 1.0 C09 A:DY5801 2.3 43.7 1.0 C05 A:DY5801 3.0 64.8 1.0 NZ A:LYS667 3.2 87.5 1.0 C10 A:DY5801 3.5 40.6 1.0 C06 A:DY5801 3.5 65.3 1.0 C04 A:DY5801 3.9 64.8 1.0 C11 A:DY5801 4.2 58.0 1.0 CE A:LYS667 4.3 77.7 1.0 C07 A:DY5801 4.7 65.4 1.0 N A:HIS652 4.9 41.9 1.0

A.Nawrotek, S.Benabdi, S.Niyomchon, M.H.Kryszke, C.Ginestier, T.Caneque, L.Tepshi, A.Mariani, R.P.St Onge, G.Giaever, C.Nislow, E.Charafe-Jauffret, R.Rodriguez, M.Zeghouf, J.Cherfils. pH-Domain-Binding Inhibitors of Nucleotide Exchange Factor BRAG2 Disrupt Arf Gtpase Signaling. Nat.Chem.Biol. V. 15 358 2019.
ISSN: ESSN 1552-4469
PubMed: 30742123
DOI: 10.1038/S41589-019-0228-3