Fluorine in PDB 2g7y: Human Cathepsin S with Inhibitor Cra-16981

All present enzymatic activity of Human Cathepsin S with Inhibitor Cra-16981:
3.4.22.27;

The structure of Human Cathepsin S with Inhibitor Cra-16981, PDB code: 2g7y was solved by J.R.Somoza, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.00
Space group	P 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	85.457, 85.457, 150.859, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 22.6

The binding sites of Fluorine atom in the Human Cathepsin S with Inhibitor Cra-16981 (pdb code 2g7y). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Human Cathepsin S with Inhibitor Cra-16981, PDB code: 2g7y:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Human Cathepsin S with Inhibitor Cra-16981


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human Cathepsin S with Inhibitor Cra-16981 within 5.0Å range: probe atom residue distance (Å) B Occ A:F999 b:32.3 occ:1.00 F29 A:MO9999 0.0 32.3 1.0 C28 A:MO9999 1.4 35.4 1.0 F30 A:MO9999 2.2 36.0 1.0 O27 A:MO9999 2.3 32.7 1.0 C19 A:MO9999 3.2 25.8 1.0 O21 A:MO9999 3.3 25.7 1.0 N20 A:MO9999 3.4 26.2 1.0 C1 A:MO9999 3.6 31.3 1.0 O11 A:MO9999 3.7 22.0 1.0 O A:VAL157 3.8 16.7 1.0 O14 A:MO9999 3.8 18.2 1.0 C22 A:MO9999 3.9 28.4 1.0 C26 A:MO9999 4.0 25.9 1.0 C10 A:MO9999 4.4 23.6 1.0 C6 A:MO9999 4.4 27.6 1.0 CA A:ASN158 4.5 16.9 1.0 C2 A:MO9999 4.6 28.9 1.0 C7 A:MO9999 4.6 27.3 1.0 S8 A:MO9999 4.7 24.2 1.0 C A:VAL157 4.8 18.0 1.0

Fluorine binding site 2 out of 4 in the Human Cathepsin S with Inhibitor Cra-16981


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human Cathepsin S with Inhibitor Cra-16981 within 5.0Å range: probe atom residue distance (Å) B Occ A:F999 b:36.0 occ:1.00 F30 A:MO9999 0.0 36.0 1.0 C28 A:MO9999 1.3 35.4 1.0 F29 A:MO9999 2.2 32.3 1.0 O27 A:MO9999 2.2 32.7 1.0 C1 A:MO9999 3.0 31.3 1.0 C6 A:MO9999 3.1 27.6 1.0 O A:VAL157 3.6 16.7 1.0 C2 A:MO9999 4.4 28.9 1.0 C5 A:MO9999 4.4 29.9 1.0 O14 A:MO9999 4.5 18.2 1.0 C A:VAL157 4.8 18.0 1.0 CG2 A:VAL157 4.8 17.4 1.0 CZ B:PHE67 4.9 20.2 1.0

Fluorine binding site 3 out of 4 in the Human Cathepsin S with Inhibitor Cra-16981


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Human Cathepsin S with Inhibitor Cra-16981 within 5.0Å range: probe atom residue distance (Å) B Occ B:F998 b:27.6 occ:1.00 F29 B:MO9998 0.0 27.6 1.0 C28 B:MO9998 1.4 31.5 1.0 F30 B:MO9998 2.1 37.0 1.0 O27 B:MO9998 2.3 27.1 1.0 C19 B:MO9998 3.1 23.0 1.0 O21 B:MO9998 3.2 24.6 1.0 O14 B:MO9998 3.2 23.9 1.0 O B:VAL157 3.3 14.5 1.0 C1 B:MO9998 3.5 24.7 1.0 N20 B:MO9998 3.5 24.9 1.0 O11 B:MO9998 3.5 21.8 1.0 CA B:ASN158 3.9 18.5 1.0 C22 B:MO9998 4.0 24.4 1.0 C10 B:MO9998 4.1 21.9 1.0 S8 B:MO9998 4.2 23.9 1.0 C26 B:MO9998 4.2 22.8 1.0 C7 B:MO9998 4.2 22.6 1.0 C B:VAL157 4.3 16.3 1.0 C2 B:MO9998 4.3 23.4 1.0 C6 B:MO9998 4.4 27.8 1.0 CB B:ASN158 4.4 21.9 1.0 N B:ASN158 4.5 16.2 1.0 C B:ASN158 4.8 18.6 1.0 C9 B:MO9998 4.8 22.1 1.0 O B:ASN158 5.0 17.2 1.0

Fluorine binding site 4 out of 4 in the Human Cathepsin S with Inhibitor Cra-16981


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Human Cathepsin S with Inhibitor Cra-16981 within 5.0Å range: probe atom residue distance (Å) B Occ B:F998 b:37.0 occ:1.00 F30 B:MO9998 0.0 37.0 1.0 C28 B:MO9998 1.3 31.5 1.0 F29 B:MO9998 2.1 27.6 1.0 O27 B:MO9998 2.3 27.1 1.0 C1 B:MO9998 2.8 24.7 1.0 C6 B:MO9998 2.9 27.8 1.0 O B:VAL157 2.9 14.5 1.0 O14 B:MO9998 3.9 23.9 1.0 C2 B:MO9998 4.0 23.4 1.0 C B:VAL157 4.0 16.3 1.0 CG2 B:VAL157 4.1 13.5 1.0 C5 B:MO9998 4.2 26.0 1.0 C7 B:MO9998 4.7 22.6 1.0 O B:HOH1056 4.7 22.2 1.0 CA B:ASN158 4.9 18.5 1.0 N B:ASN158 4.9 16.2 1.0 S8 B:MO9998 4.9 23.9 1.0 CA B:VAL157 4.9 16.8 1.0 C3 B:MO9998 4.9 23.5 1.0 N B:VAL157 5.0 18.1 1.0

J.R.Somoza, J.R.Somoza. N/A N/A.