Chlorine in PDB 7y0f: Crystal Structure of TMPRSS2 in Complex with Uk-371804

The structure of Crystal Structure of TMPRSS2 in Complex with Uk-371804, PDB code: 7y0f was solved by H.Wang, Y.Duan, X.Liu, L.Sun, H.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.25 / 2.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.045, 91.208, 90.696, 90, 100.44, 90
R / Rfree (%)	21.7 / 23.7

The structure of Crystal Structure of TMPRSS2 in Complex with Uk-371804 also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of TMPRSS2 in Complex with Uk-371804 (pdb code 7y0f). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of TMPRSS2 in Complex with Uk-371804, PDB code: 7y0f:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of TMPRSS2 in Complex with Uk-371804


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of TMPRSS2 in Complex with Uk-371804 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl601 b:41.5 occ:1.00 CL1 C:I9V601 0.0 41.5 1.0 C17 C:I9V601 1.8 30.6 1.0 OG C:SER441 2.3 40.1 1.0 C14 C:I9V601 2.7 36.8 1.0 C18 C:I9V601 2.8 31.8 1.0 C15 C:I9V601 3.0 45.5 1.0 CB C:SER441 3.4 33.0 1.0 CA C:SER441 3.5 28.6 1.0 O C:CYS437 3.6 41.2 1.0 O C:SER460 3.6 32.1 1.0 N C:SER441 3.6 37.9 1.0 N19 C:I9V601 4.0 33.5 1.0 NE2 C:HIS296 4.0 35.5 1.0 C13 C:I9V601 4.0 37.0 1.0 CG2 C:THR459 4.2 33.5 1.0 CE1 C:HIS296 4.3 33.4 1.0 C C:SER460 4.3 31.4 1.0 C16 C:I9V601 4.4 41.9 1.0 C C:CYS437 4.4 38.9 1.0 C20 C:I9V601 4.5 35.0 1.0 C C:ASP440 4.5 33.2 1.0 O C:THR459 4.7 28.6 1.0 N C:GLY439 4.8 31.0 1.0 N C:TRP461 4.8 22.3 1.0 CA C:TRP461 4.8 24.0 1.0 N C:ASP440 4.9 29.2 1.0 CA C:GLN438 4.9 36.2 1.0 C C:THR459 4.9 30.6 1.0 C C:SER441 5.0 30.8 1.0 N C:GLN438 5.0 41.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of TMPRSS2 in Complex with Uk-371804


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of TMPRSS2 in Complex with Uk-371804 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl601 b:41.9 occ:1.00 CL1 D:I9V601 0.0 41.9 1.0 C17 D:I9V601 1.8 47.5 1.0 OG D:SER441 2.5 36.2 1.0 C14 D:I9V601 2.8 44.6 1.0 C18 D:I9V601 2.8 44.8 1.0 C15 D:I9V601 3.0 45.3 1.0 O D:SER460 3.4 40.7 1.0 CB D:SER441 3.4 33.9 1.0 CA D:SER441 3.6 33.1 1.0 NE2 D:HIS296 3.6 34.7 1.0 N D:SER441 3.8 31.8 1.0 O D:CYS437 3.8 41.6 1.0 CE1 D:HIS296 4.0 37.9 1.0 N19 D:I9V601 4.0 42.2 1.0 C13 D:I9V601 4.0 42.3 1.0 CG2 D:THR459 4.1 31.5 1.0 C D:SER460 4.1 35.1 1.0 C16 D:I9V601 4.4 46.9 1.0 O D:THR459 4.5 34.0 1.0 C20 D:I9V601 4.5 39.8 1.0 C D:CYS437 4.5 43.3 1.0 N D:TRP461 4.7 31.0 1.0 C D:ASP440 4.7 30.8 1.0 CA D:TRP461 4.7 34.6 1.0 C D:THR459 4.7 36.0 1.0 CA D:GLN438 4.8 36.0 1.0 CD2 D:HIS296 4.8 30.4 1.0 N D:SER460 4.9 32.3 1.0 CA D:SER460 4.9 31.8 1.0 N D:GLY439 4.9 35.8 1.0 N D:GLN438 5.0 46.6 1.0

H.Wang, Y.Duan, X.Liu, L.Sun, H.Yang. Crystal Structure of TMPRSS2 in Complex with Uk-371804 To Be Published.