Fluorine in PDB 5ryt: EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z54226006

The structure of EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z54226006, PDB code: 5ryt was solved by W.J.Bradshaw, V.L.Katis, J.A.Newman, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, O.Gileadi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.87 / 1.72
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	38.540, 77.390, 99.650, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 25.5

The binding sites of Fluorine atom in the EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z54226006 (pdb code 5ryt). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z54226006, PDB code: 5ryt:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z54226006


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z54226006 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:47.4 occ:0.58 F A:NX7401 0.0 47.4 0.6 C A:NX7401 1.3 50.1 0.6 C1 A:NX7401 2.3 50.4 0.6 C5 A:NX7401 2.4 52.4 0.6 C6 A:NX7401 2.9 53.8 0.6 C7 A:NX7401 3.2 54.3 0.6 N A:NX7401 3.2 54.7 0.6 N A:PHE386 3.4 24.1 0.6 CA A:PHE386 3.5 27.2 0.6 C2 A:NX7401 3.6 50.5 0.6 C4 A:NX7401 3.6 50.9 0.6 CG2 A:THR385 3.8 22.9 0.6 O A:HOH634 3.8 67.0 1.0 O A:NX7401 3.8 54.8 0.6 C A:THR385 3.9 23.8 0.6 CB A:PHE386 3.9 27.2 0.6 C3 A:NX7401 4.1 50.4 0.6 O A:GLU382 4.2 22.0 1.0 CB A:THR385 4.2 23.9 0.6 O A:THR385 4.3 22.5 0.6 CD2 A:PHE386 4.4 29.2 0.6 C10 A:NX7401 4.4 55.1 0.6 C8 A:NX7401 4.5 55.5 0.6 CD1 A:LEU389 4.5 44.4 0.6 CG A:PHE386 4.6 28.8 0.6 CA A:THR385 4.7 23.6 0.6 F1 A:NX7401 4.7 48.8 0.6 CZ A:PHE188 4.8 25.0 1.0 CE2 A:PHE188 4.9 25.4 1.0 C A:PHE386 4.9 27.1 0.6

Fluorine binding site 2 out of 4 in the EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z54226006


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z54226006 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:48.8 occ:0.58 F1 A:NX7401 0.0 48.8 0.6 C4 A:NX7401 1.3 50.9 0.6 C5 A:NX7401 2.3 52.4 0.6 C3 A:NX7401 2.4 50.4 0.6 C6 A:NX7401 2.7 53.8 0.6 O A:NX7401 2.8 54.8 0.6 C A:NX7401 3.6 50.1 0.6 C2 A:NX7401 3.6 50.5 0.6 N A:NX7401 3.7 54.7 0.6 C1 A:NX7401 4.1 50.4 0.6 C7 A:NX7401 4.4 54.3 0.6 OD1 A:ASP149 4.6 55.6 1.0 F A:NX7401 4.7 47.4 0.6 C10 A:NX7401 4.7 55.1 0.6 CG A:ASP149 4.8 48.0 1.0 CB A:ASP149 4.9 40.3 1.0

Fluorine binding site 3 out of 4 in the EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z54226006


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z54226006 within 5.0Å range: probe atom residue distance (Å) B Occ A:F402 b:44.8 occ:0.58 F A:NX7402 0.0 44.8 0.6 C A:NX7402 1.3 43.9 0.6 C1 A:NX7402 2.4 45.0 0.6 C5 A:NX7402 2.4 41.6 0.6 O A:LEU338 2.6 35.4 0.6 C6 A:NX7402 2.8 38.9 0.6 O A:NX7402 3.1 37.7 0.6 C A:LEU338 3.6 34.0 0.6 C2 A:NX7402 3.6 43.6 0.6 C4 A:NX7402 3.6 42.7 0.6 CA A:LYS339 3.6 33.3 0.6 N A:NX7402 3.8 41.1 0.6 N A:LYS339 3.9 31.8 0.6 C3 A:NX7402 4.1 44.7 0.6 CB A:LYS339 4.3 35.0 0.6 C7 A:NX7402 4.4 41.5 0.6 F1 A:NX7402 4.7 44.9 0.6 C A:LYS339 4.8 32.0 0.6 C10 A:NX7402 4.8 41.4 0.6 CG A:LYS339 4.9 35.7 0.6 N A:ILE340 4.9 30.8 0.6 CA A:LEU338 4.9 32.8 0.6 O A:VAL337 4.9 29.0 0.6

Fluorine binding site 4 out of 4 in the EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z54226006


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z54226006 within 5.0Å range: probe atom residue distance (Å) B Occ A:F402 b:44.9 occ:0.58 F1 A:NX7402 0.0 44.9 0.6 C4 A:NX7402 1.3 42.7 0.6 C3 A:NX7402 2.3 44.7 0.6 C5 A:NX7402 2.4 41.6 0.6 C6 A:NX7402 2.9 38.9 0.6 N A:NX7402 3.2 41.1 0.6 C7 A:NX7402 3.2 41.5 0.6 C2 A:NX7402 3.6 43.6 0.6 C A:NX7402 3.6 43.9 0.6 O A:NX7402 3.8 37.7 0.6 CA A:VAL381 3.9 25.3 1.0 CG2 A:VAL381 4.0 34.1 1.0 CB A:HIS384 4.1 28.7 0.6 C1 A:NX7402 4.1 45.0 0.6 CD1 A:ILE340 4.2 35.9 0.6 N A:VAL381 4.3 23.1 1.0 C10 A:NX7402 4.3 41.4 0.6 CG1 A:ILE340 4.3 33.7 0.6 CG A:HIS384 4.4 31.3 0.6 CB A:ILE340 4.4 32.5 0.6 CB A:VAL381 4.4 29.5 1.0 ND1 A:HIS384 4.5 33.5 0.6 O A:CYS380 4.5 23.8 1.0 C8 A:NX7402 4.6 40.5 0.6 C A:CYS380 4.6 25.5 1.0 F A:NX7402 4.7 44.8 0.6 CG1 A:VAL381 4.8 34.5 1.0 CZ3 A:TRP334 4.8 25.6 0.6 N A:ILE340 4.9 30.8 0.6 C9 A:NX7402 4.9 40.0 0.6 O A:VAL381 5.0 23.7 1.0 C A:VAL381 5.0 21.7 1.0

W.J.Bradshaw, V.L.Katis, J.A.Newman, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, O.Gileadi. EPB41L3 Pandda Analysis Group Deposition To Be Published.