Fluorine in PDB 5qbr: Crystal Structure of Endothiapepsin

All present enzymatic activity of Crystal Structure of Endothiapepsin:
3.4.23.22;

The structure of Crystal Structure of Endothiapepsin, PDB code: 5qbr was solved by F.Huschmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.47 / 1.42
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.339, 73.576, 53.487, 90.00, 110.21, 90.00
R / Rfree (%)	15.7 / 19.8

The binding sites of Fluorine atom in the Crystal Structure of Endothiapepsin (pdb code 5qbr). 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 Endothiapepsin, PDB code: 5qbr:

Fluorine binding site 1 out of 1 in the Crystal Structure of Endothiapepsin


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 Endothiapepsin within 5.0Å range: probe atom residue distance (Å) B Occ A:F406 b:29.2 occ:0.73 F A:DD4406 0.0 29.2 0.7 C6 A:DD4406 1.4 27.9 0.7 C1 A:DD4406 2.3 26.8 0.7 C5 A:DD4406 2.3 26.3 0.7 C A:DD4406 2.8 26.6 0.7 CE1 A:PHE116 3.4 22.0 1.0 CD1 A:ILE122 3.5 15.9 1.0 C2 A:DD4406 3.6 25.9 0.7 C4 A:DD4406 3.6 24.5 0.7 CD1 A:PHE116 3.7 21.6 1.0 OD2 A:ASP119 4.0 25.0 0.4 C3 A:DD4406 4.1 24.3 0.7 OD2 A:ASP33 4.2 13.2 1.0 CG2 A:ILE122 4.3 14.9 1.0 CZ A:PHE116 4.4 22.2 1.0 CD1 A:LEU125 4.6 17.8 1.0 CB A:ILE122 4.7 14.7 1.0 CG1 A:ILE122 4.7 15.2 1.0 O A:HOH658 4.7 19.6 1.0 C7 A:DD4406 4.8 24.1 0.7 OD2 A:ASP119 4.8 25.5 0.6 CG A:PHE116 4.9 20.7 1.0 O A:HOH524 5.0 15.1 1.0

F.U.Huschmann, M.S.Weiss, U.Mueller, L.O.Haustedt, G.Klebe. Crystal Structure of Endothiapepsin To Be Published.