Fluorine in PDB 7bkv: Endothiapepsin Structure Obtained at 100K with Fragment AC39729 Bound

All present enzymatic activity of Endothiapepsin Structure Obtained at 100K with Fragment AC39729 Bound:
3.4.23.22;

The structure of Endothiapepsin Structure Obtained at 100K with Fragment AC39729 Bound, PDB code: 7bkv was solved by S.Engilberge, C.-Y.Huang, K.M.L.Smith, D.Eris, M.Marsh, M.Wang, J.A.Wojdyla, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.58 / 1.24
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.295, 73.492, 52.83, 90, 109.93, 90
R / Rfree (%)	14.1 / 16.2

The binding sites of Fluorine atom in the Endothiapepsin Structure Obtained at 100K with Fragment AC39729 Bound (pdb code 7bkv). 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 Endothiapepsin Structure Obtained at 100K with Fragment AC39729 Bound, PDB code: 7bkv:

Fluorine binding site 1 out of 1 in the Endothiapepsin Structure Obtained at 100K with Fragment AC39729 Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Endothiapepsin Structure Obtained at 100K with Fragment AC39729 Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:28.0 occ:1.00 F06 A:U1Q401 0.0 28.0 1.0 C05 A:U1Q401 1.4 24.1 1.0 C07 A:U1Q401 2.4 21.9 1.0 C04 A:U1Q401 2.4 21.6 1.0 CD2 A:LEU125 3.1 25.9 1.0 CD2 A:TYR79 3.5 12.9 1.0 CG A:TYR79 3.5 13.9 1.0 CZ A:PHE116 3.6 13.3 1.0 N08 A:U1Q401 3.6 18.4 1.0 CE2 A:TYR79 3.6 13.2 1.0 C03 A:U1Q401 3.6 21.4 1.0 CD1 A:TYR79 3.6 15.4 1.0 CZ A:TYR79 3.7 12.4 1.0 CE1 A:TYR79 3.8 13.9 1.0 CE1 A:PHE116 3.9 14.6 1.0 O A:HOH546 4.0 21.6 1.0 O A:HOH925 4.0 26.3 0.5 CD1 A:LEU125 4.0 14.8 1.0 C02 A:U1Q401 4.1 19.8 1.0 CG A:LEU125 4.1 15.5 1.0 CB A:TYR79 4.2 16.1 1.0 OG A:SER83 4.5 16.0 1.0 OH A:TYR79 4.5 13.6 1.0 OD2 A:ASP35 4.7 14.3 1.0 CE2 A:PHE116 4.8 14.1 1.0

S.Engilberge, C.-Y.Huang, K.M.L.Smith, D.Eris, J.A.Wojdyla, V.Olieric, F.Leonarski, M.Sharpe, M.Wang. Endothiapepsin Structure Obtained at 100K with Fragment AC39729 Bound To Be Published.