Fluorine in PDB 5rza: EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z729352906

The structure of EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z729352906, PDB code: 5rza 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)	61.28 / 1.89
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	38.750, 77.710, 99.660, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 26

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 Z729352906 (pdb code 5rza). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 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 Z729352906, PDB code: 5rza:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z729352906


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 Z729352906 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:58.0 occ:0.62 F A:WHM401 0.0 58.0 0.6 C A:WHM401 1.3 56.8 0.6 C9 A:WHM401 2.3 53.5 0.6 C1 A:WHM401 2.4 57.4 0.6 N A:LEU390 2.9 70.8 0.6 CB A:LEU390 3.0 66.3 0.6 O A:ARG388 3.3 62.1 0.6 CA A:LEU390 3.4 67.2 0.6 C4 A:WHM401 3.6 54.1 0.6 OXT A:LEU390 3.7 57.5 0.6 C2 A:WHM401 3.7 56.4 0.6 C A:LEU390 3.7 61.3 0.6 CB A:LEU389 3.9 77.2 0.6 C A:LEU389 4.0 73.2 0.6 C A:ARG388 4.0 65.5 0.6 C3 A:WHM401 4.1 55.5 0.6 O A:PHE386 4.2 31.4 0.6 CA A:LEU389 4.3 74.7 0.6 CG A:LEU390 4.5 68.0 0.6 N A:LEU389 4.5 71.4 0.6 CA A:PHE387 4.5 45.6 0.6 C A:PHE387 4.5 48.0 0.6 O A:LEU390 4.7 56.5 0.6 N A:ARG388 4.8 55.2 0.6 C5 A:WHM401 4.8 52.8 0.6 CD2 A:LEU390 4.8 66.0 0.6 CG A:LEU389 4.8 78.3 0.6 O A:PHE387 4.8 52.6 0.6

Fluorine binding site 2 out of 2 in the EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z729352906


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 Z729352906 within 5.0Å range: probe atom residue distance (Å) B Occ A:F402 b:48.0 occ:0.62 F A:WHM402 0.0 48.0 0.6 C A:WHM402 1.3 46.0 0.6 C9 A:WHM402 2.3 45.5 0.6 C1 A:WHM402 2.3 47.2 0.6 CZ3 A:TRP334 2.9 29.9 0.6 C4 A:WHM402 3.6 46.4 0.6 C2 A:WHM402 3.6 47.4 0.6 CD1 A:ILE340 3.7 29.6 0.6 CB A:HIS384 3.7 32.6 1.0 CE3 A:TRP334 3.7 31.2 0.6 CG1 A:ILE340 3.8 29.2 0.6 CG2 A:ILE340 3.8 29.9 0.6 CH2 A:TRP334 3.8 30.5 0.6 CG A:HIS384 3.9 42.1 1.0 C3 A:WHM402 4.0 46.9 0.6 CG1 A:VAL337 4.1 32.5 0.6 O A:CYS380 4.2 23.6 1.0 CD2 A:HIS384 4.3 45.6 1.0 CB A:ILE340 4.4 28.9 0.6 ND1 A:HIS384 4.5 46.9 1.0 C A:CYS380 4.5 25.4 1.0 CB A:CYS380 4.5 26.6 1.0 C5 A:WHM402 4.8 46.0 0.6 N A:VAL381 4.8 23.5 1.0 CB A:VAL337 4.8 30.8 0.6 NE2 A:HIS384 5.0 52.0 1.0 CD2 A:TRP334 5.0 31.5 0.6 CA A:VAL381 5.0 24.8 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.