Fluorine in PDB 5rzn: EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z1745658474

The structure of EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z1745658474, PDB code: 5rzn 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)	42.04 / 1.83
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	38.560, 77.920, 99.730, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 25.2

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 Z1745658474 (pdb code 5rzn). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 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 Z1745658474, PDB code: 5rzn:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in the EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z1745658474


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 Z1745658474 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:36.5 occ:0.62 F A:S7J401 0.0 36.5 0.6 C5 A:S7J401 1.3 34.1 0.6 F1 A:S7J401 2.1 35.8 0.6 F2 A:S7J401 2.1 30.9 0.6 O A:LEU165 2.4 25.5 1.0 C3 A:S7J401 2.4 33.9 0.6 N A:PRO167 2.9 23.6 1.0 N2 A:S7J401 3.0 34.0 0.6 C A:LEU165 3.0 25.4 1.0 CD A:PRO167 3.1 27.3 1.0 CA A:PRO167 3.3 24.8 1.0 C A:ASP166 3.3 23.4 1.0 N1 A:S7J401 3.4 34.4 0.6 CB A:PRO167 3.5 26.7 1.0 CB A:LEU165 3.6 21.4 1.0 CG A:PRO167 3.7 26.9 1.0 N A:ASP166 3.7 24.8 1.0 CA A:ASP166 3.8 24.6 1.0 CG A:LEU165 3.9 21.1 1.0 CA A:LEU165 3.9 20.9 1.0 O A:ASP166 3.9 23.0 1.0 O A:HOH508 3.9 45.7 1.0 CD2 A:LEU165 4.2 19.9 1.0 C4 A:S7J401 4.3 32.8 0.6 C A:GLY132 4.4 23.4 1.0 CA A:GLY132 4.4 23.8 1.0 C2 A:S7J401 4.6 34.1 0.6 O A:GLY132 4.7 21.9 1.0 N A:LEU165 4.7 20.1 1.0 C A:PRO167 4.7 26.6 1.0 N A:GLN133 4.8 23.3 1.0 C1 A:S7J401 5.0 33.2 0.6

Fluorine binding site 2 out of 6 in the EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z1745658474


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 Z1745658474 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:35.8 occ:0.62 F1 A:S7J401 0.0 35.8 0.6 C5 A:S7J401 1.3 34.1 0.6 F A:S7J401 2.1 36.5 0.6 F2 A:S7J401 2.2 30.9 0.6 C3 A:S7J401 2.4 33.9 0.6 N1 A:S7J401 2.8 34.4 0.6 O A:GLY132 3.0 21.9 1.0 C A:GLY132 3.1 23.4 1.0 CB A:PHE136 3.1 21.3 1.0 N A:GLN133 3.5 23.3 1.0 CB A:PRO167 3.5 26.7 1.0 CA A:PRO167 3.5 24.8 1.0 N2 A:S7J401 3.6 34.0 0.6 CA A:GLN133 3.7 24.5 1.0 CA A:GLY132 3.8 23.8 1.0 CG A:PHE136 3.8 21.1 1.0 N A:PRO167 4.0 23.6 1.0 C2 A:S7J401 4.1 34.1 0.6 CG A:PRO167 4.2 26.9 1.0 CA A:PHE136 4.3 22.6 1.0 CD A:PRO167 4.3 27.3 1.0 CD1 A:PHE136 4.4 22.5 1.0 CD2 A:LEU165 4.4 19.9 1.0 N A:PHE136 4.4 21.0 1.0 O A:LEU165 4.4 25.5 1.0 CD2 A:PHE136 4.5 21.4 1.0 C A:GLN133 4.6 25.4 1.0 CD1 A:LEU153 4.6 22.1 1.0 C A:ASP166 4.7 23.4 1.0 CG A:LEU165 4.7 21.1 1.0 C4 A:S7J401 4.7 32.8 0.6 CB A:LEU165 4.9 21.4 1.0 CB A:GLN133 4.9 22.6 1.0 C A:PRO167 4.9 26.6 1.0 O A:GLN133 4.9 24.3 1.0 C1 A:S7J401 4.9 33.2 0.6 OE1 A:GLN133 5.0 25.7 1.0 O A:ASP166 5.0 23.0 1.0

Fluorine binding site 3 out of 6 in the EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z1745658474


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 Z1745658474 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:30.9 occ:0.62 F2 A:S7J401 0.0 30.9 0.6 C5 A:S7J401 1.3 34.1 0.6 F A:S7J401 2.1 36.5 0.6 F1 A:S7J401 2.2 35.8 0.6 C3 A:S7J401 2.3 33.9 0.6 N2 A:S7J401 2.7 34.0 0.6 N A:LEU153 3.3 21.1 1.0 N1 A:S7J401 3.4 34.4 0.6 CB A:LEU153 3.5 20.1 1.0 O A:LEU165 3.6 25.5 1.0 CG A:LEU153 3.7 20.6 1.0 CD1 A:PHE136 3.8 22.5 1.0 CD1 A:LEU153 3.9 22.1 1.0 CB A:PHE136 3.9 21.3 1.0 CB A:LEU165 3.9 21.4 1.0 CG A:PHE136 4.0 21.1 1.0 C4 A:S7J401 4.0 32.8 0.6 CA A:LEU153 4.0 19.1 1.0 CA A:GLY152 4.0 20.2 1.0 C A:GLY152 4.1 20.9 1.0 CD2 A:LEU165 4.2 19.9 1.0 O A:LEU153 4.3 19.9 1.0 C A:LEU165 4.4 25.4 1.0 CG A:LEU165 4.4 21.1 1.0 C2 A:S7J401 4.5 34.1 0.6 O A:HOH508 4.5 45.7 1.0 CE1 A:PHE136 4.6 22.2 1.0 C A:LEU153 4.7 19.7 1.0 CA A:LEU165 4.7 20.9 1.0 O A:GLY132 4.7 21.9 1.0 C1 A:S7J401 4.7 33.2 0.6 CD2 A:PHE136 4.9 21.4 1.0 CA A:PHE136 4.9 22.6 1.0 CD A:PRO167 4.9 27.3 1.0 N A:PRO167 5.0 23.6 1.0 C A:GLY132 5.0 23.4 1.0

Fluorine binding site 4 out of 6 in the EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z1745658474


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 Z1745658474 within 5.0Å range: probe atom residue distance (Å) B Occ A:F402 b:39.8 occ:0.56 F A:S7J402 0.0 39.8 0.6 C5 A:S7J402 1.4 41.4 0.6 F2 A:S7J402 2.1 39.4 0.6 F1 A:S7J402 2.2 44.4 0.6 C3 A:S7J402 2.4 39.9 0.6 N2 A:S7J402 2.6 40.5 0.6 OG1 A:THR224 2.9 28.7 1.0 CA A:THR224 3.7 20.4 1.0 N1 A:S7J402 3.7 40.2 0.6 CB A:THR224 3.8 25.1 1.0 CD2 A:LEU227 3.8 30.2 1.0 N A:THR224 4.0 20.4 1.0 C4 A:S7J402 4.0 41.1 0.6 CG1 A:VAL223 4.1 26.9 1.0 CG2 A:THR224 4.2 28.3 1.0 C A:VAL223 4.3 21.0 1.0 OD1 A:ASN289 4.4 27.1 1.0 CB A:LEU227 4.5 24.5 1.0 O A:VAL223 4.5 19.4 1.0 C2 A:S7J402 4.7 40.6 0.6 CG A:LEU227 4.8 25.4 1.0 C1 A:S7J402 4.9 41.3 0.6 CB A:VAL223 4.9 24.6 1.0 C A:THR224 5.0 19.6 1.0

Fluorine binding site 5 out of 6 in the EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z1745658474


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z1745658474 within 5.0Å range: probe atom residue distance (Å) B Occ A:F402 b:44.4 occ:0.56 F1 A:S7J402 0.0 44.4 0.6 C5 A:S7J402 1.4 41.4 0.6 F2 A:S7J402 2.2 39.4 0.6 F A:S7J402 2.2 39.8 0.6 C3 A:S7J402 2.4 39.9 0.6 N1 A:S7J402 2.9 40.2 0.6 OD1 A:ASN289 3.1 27.1 1.0 CD2 A:LEU227 3.2 30.2 1.0 CG A:ASN289 3.4 25.4 1.0 CG2 A:THR224 3.4 28.3 1.0 CB A:ASN289 3.5 23.4 1.0 N2 A:S7J402 3.5 40.5 0.6 OG1 A:THR224 3.5 28.7 1.0 CA A:THR224 3.8 20.4 1.0 CB A:THR224 3.8 25.1 1.0 CB A:LEU227 3.9 24.5 1.0 CG A:LEU227 4.0 25.4 1.0 C2 A:S7J402 4.2 40.6 0.6 O A:THR224 4.3 20.1 1.0 ND2 A:ASN289 4.4 22.5 1.0 C4 A:S7J402 4.6 41.1 0.6 C A:THR224 4.6 19.6 1.0 CA A:ASN289 4.6 21.9 1.0 N A:THR224 4.7 20.4 1.0 C1 A:S7J402 4.9 41.3 0.6 CG A:LEU228 4.9 21.6 1.0

Fluorine binding site 6 out of 6 in the EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z1745658474


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z1745658474 within 5.0Å range: probe atom residue distance (Å) B Occ A:F402 b:39.4 occ:0.56 F2 A:S7J402 0.0 39.4 0.6 C5 A:S7J402 1.3 41.4 0.6 F A:S7J402 2.1 39.8 0.6 F1 A:S7J402 2.2 44.4 0.6 C3 A:S7J402 2.3 39.9 0.6 OD1 A:ASN289 2.6 27.1 1.0 N1 A:S7J402 3.1 40.2 0.6 N2 A:S7J402 3.2 40.5 0.6 CD2 A:LEU227 3.5 30.2 1.0 CG A:ASN289 3.6 25.4 1.0 CB A:ASN289 4.2 23.4 1.0 C2 A:S7J402 4.3 40.6 0.6 C4 A:S7J402 4.4 41.1 0.6 OG1 A:THR224 4.5 28.7 1.0 ND2 A:ASN289 4.6 22.5 1.0 CG A:LEU227 4.8 25.4 1.0 C1 A:S7J402 4.9 41.3 0.6

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.