Fluorine in PDB 5qbf: Crystal Structure of Endothiapepsin-FRG203 Complex

All present enzymatic activity of Crystal Structure of Endothiapepsin-FRG203 Complex:
3.4.23.22;

The structure of Crystal Structure of Endothiapepsin-FRG203 Complex, PDB code: 5qbf was solved by F.Huschmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.13 / 1.27
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.181, 73.002, 52.716, 90.00, 109.25, 90.00
R / Rfree (%)	13.6 / 16.1

The binding sites of Fluorine atom in the Crystal Structure of Endothiapepsin-FRG203 Complex (pdb code 5qbf). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Endothiapepsin-FRG203 Complex, PDB code: 5qbf:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Endothiapepsin-FRG203 Complex


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-FRG203 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F405 b:27.3 occ:0.70 F A:D8J405 0.0 27.3 0.7 C2 A:D8J405 1.4 27.1 0.7 C1 A:D8J405 2.3 27.0 0.7 C3 A:D8J405 2.3 26.9 0.7 CD1 A:ILE122 3.1 14.8 1.0 OD2 A:ASP119 3.2 26.2 0.6 CB A:ALA16 3.2 11.9 1.0 C4 A:D8J405 3.6 25.9 0.7 C A:D8J405 3.6 26.2 0.7 OD2 A:ASP119 3.6 25.5 0.4 CD1 A:ILE10 3.9 14.4 1.0 O A:HOH506 3.9 46.6 1.0 C5 A:D8J405 4.1 25.4 0.7 O A:HOH512 4.3 14.9 1.0 OD2 A:ASP33 4.4 12.2 1.0 CG A:ASP119 4.4 24.3 0.6 CG A:ASP119 4.4 24.7 0.4 O A:ASP15 4.5 13.4 1.0 CG1 A:ILE122 4.5 12.8 1.0 CA A:ALA16 4.6 11.4 1.0 C A:ASP15 4.8 13.0 1.0 N A:ALA16 4.8 11.5 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Endothiapepsin-FRG203 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Endothiapepsin-FRG203 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F406 b:22.4 occ:0.50 F A:D8J406 0.0 22.4 0.5 C2 A:D8J406 1.4 20.3 0.5 C3 A:D8J406 2.3 19.0 0.5 C1 A:D8J406 2.3 19.1 0.5 O A:HOH730 3.3 48.2 1.0 C4 A:D8J406 3.6 17.9 0.5 C A:D8J406 3.6 17.9 0.5 C5 A:D8J406 4.1 17.0 0.5 O A:HOH530 4.4 26.9 1.0 CB A:ASP81 4.7 30.7 1.0 C7 A:D8J405 4.8 22.9 0.7

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