Fluorine in PDB 5qbw: Crystal Structure of Human Cathepsin-S with Bound Ligand

All present enzymatic activity of Crystal Structure of Human Cathepsin-S with Bound Ligand:
3.4.22.27;

The structure of Crystal Structure of Human Cathepsin-S with Bound Ligand, PDB code: 5qbw was solved by S.D.Bembenek, M.K.Ameriks, T.Mirzadegan, H.Yang, C.Shao, S.K.Burley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.24 / 3.01
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	71.015, 71.015, 88.714, 90.00, 90.00, 90.00
R / Rfree (%)	14.3 / 25.4

The structure of Crystal Structure of Human Cathepsin-S with Bound Ligand also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Fluorine atom in the Crystal Structure of Human Cathepsin-S with Bound Ligand (pdb code 5qbw). 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 Human Cathepsin-S with Bound Ligand, PDB code: 5qbw:

Fluorine binding site 1 out of 1 in the Crystal Structure of Human Cathepsin-S with Bound Ligand


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 Human Cathepsin-S with Bound Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:F901 b:27.7 occ:1.00 F84 A:B8S901 0.0 27.7 1.0 C75 A:B8S901 1.4 27.2 1.0 C76 A:B8S901 2.3 28.0 1.0 C74 A:B8S901 2.3 26.1 1.0 CG A:LYS64 3.3 32.8 1.0 O A:GLY62 3.5 21.1 1.0 CB A:LYS64 3.6 23.9 1.0 C77 A:B8S901 3.6 26.7 1.0 C73 A:B8S901 3.6 24.1 1.0 N A:LYS64 3.8 21.6 1.0 CD A:LYS64 3.8 42.7 1.0 O A:GLY68 3.9 25.4 1.0 C71 A:B8S901 4.1 24.6 1.0 C A:ASN63 4.1 21.4 1.0 CA A:ASN63 4.2 18.3 1.0 C A:GLY68 4.3 23.0 1.0 C A:GLY62 4.3 20.3 1.0 CA A:LYS64 4.3 21.2 1.0 O A:ASN67 4.4 27.2 1.0 CE A:LYS64 4.5 49.4 1.0 N A:GLY69 4.6 21.1 1.0 N A:ASN63 4.7 18.3 1.0 CA A:GLY69 4.8 20.5 1.0 O A:ASN63 4.9 22.6 1.0 CA A:GLY68 5.0 21.8 1.0

S.D.Bembenek, M.K.Ameriks, T.Mirzadegan, H.Yang, C.Shao, S.K.Burley. Crystal Structure of Human Cathepsin-S with Bound Ligand To Be Published.