Fluorine in PDB 7wgs: Structure of Clpp From Staphylococcus Aureus in Complex with (S)-ZG197

All present enzymatic activity of Structure of Clpp From Staphylococcus Aureus in Complex with (S)-ZG197:
3.4.21.92;

The structure of Structure of Clpp From Staphylococcus Aureus in Complex with (S)-ZG197, PDB code: 7wgs was solved by C.-G.Yang, J.H.Gan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	145.60 / 2.11
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	94.029, 125.285, 145.919, 90, 93.78, 90
R / Rfree (%)	18.7 / 20.3

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>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 42;

Binding sites:

The binding sites of Fluorine atom in the Structure of Clpp From Staphylococcus Aureus in Complex with (S)-ZG197 (pdb code 7wgs). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 42 binding sites of Fluorine where determined in the Structure of Clpp From Staphylococcus Aureus in Complex with (S)-ZG197, PDB code: 7wgs:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 42 in the Structure of Clpp From Staphylococcus Aureus in Complex with (S)-ZG197


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Clpp From Staphylococcus Aureus in Complex with (S)-ZG197 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:49.6 occ:1.00 F42 A:9A2201 0.0 49.6 1.0 C38 A:9A2201 1.3 52.5 1.0 F41 A:9A2201 2.2 56.5 1.0 F40 A:9A2201 2.2 53.7 1.0 C37 A:9A2201 2.3 48.9 1.0 C36 A:9A2201 2.8 44.2 1.0 NH1 A:ARG23 3.2 51.7 1.0 OD2 A:ASP27 3.5 60.1 1.0 CA A:LEU24 3.5 26.9 1.0 CB A:ASP27 3.6 40.5 1.0 O A:ARG23 3.6 28.6 1.0 CG A:ASP27 3.7 46.2 1.0 CD1 A:LEU24 3.7 33.3 1.0 CG A:LEU24 3.9 31.1 1.0 N A:LEU24 4.1 27.2 1.0 C A:ARG23 4.1 31.2 1.0 C35 A:9A2201 4.2 42.3 1.0 CB A:LEU24 4.3 29.1 1.0 O A:LEU24 4.3 25.6 1.0 CZ A:ARG23 4.3 49.7 1.0 C A:LEU24 4.4 25.2 1.0 CD1 A:ILE29 4.5 32.5 1.0 OD1 A:ASP27 4.6 53.8 1.0 CG A:ARG23 4.6 38.5 1.0 N A:ASP27 4.8 33.6 1.0 CA A:ASP27 4.8 34.2 1.0 NH2 A:ARG23 4.9 53.2 1.0

Fluorine binding site 2 out of 42 in the Structure of Clpp From Staphylococcus Aureus in Complex with (S)-ZG197


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Clpp From Staphylococcus Aureus in Complex with (S)-ZG197 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:53.7 occ:1.00 F40 A:9A2201 0.0 53.7 1.0 C38 A:9A2201 1.3 52.5 1.0 F41 A:9A2201 2.2 56.5 1.0 F42 A:9A2201 2.2 49.6 1.0 C37 A:9A2201 2.3 48.9 1.0 C36 A:9A2201 2.9 44.2 1.0 CD1 A:LEU24 3.2 33.3 1.0 N G:PHE50 3.5 33.0 1.0 CA G:PHE50 3.5 35.6 1.0 CG A:LEU24 3.6 31.1 1.0 C G:LEU49 3.6 33.5 1.0 O G:LEU49 3.7 33.4 1.0 CB G:LEU49 4.0 34.8 1.0 CB G:PHE50 4.1 34.7 1.0 C35 A:9A2201 4.2 42.3 1.0 CA G:LEU49 4.5 34.0 1.0 CD1 A:ILE29 4.5 32.5 1.0 CD2 A:LEU24 4.6 32.3 1.0 O1 A:9A2201 4.6 42.6 1.0 O G:SER46 4.6 29.9 1.0 CA A:LEU24 4.6 26.9 1.0 CB A:LEU24 4.7 29.1 1.0 CB G:ALA53 4.8 42.4 1.0 C G:PHE50 4.8 36.4 1.0 CD1 G:PHE50 4.9 38.7 1.0 O G:HOH307 5.0 39.4 1.0

Fluorine binding site 3 out of 42 in the Structure of Clpp From Staphylococcus Aureus in Complex with (S)-ZG197


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of Clpp From Staphylococcus Aureus in Complex with (S)-ZG197 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:56.5 occ:1.00 F41 A:9A2201 0.0 56.5 1.0 C38 A:9A2201 1.3 52.5 1.0 F42 A:9A2201 2.2 49.6 1.0 F40 A:9A2201 2.2 53.7 1.0 C37 A:9A2201 2.3 48.9 1.0 CD1 G:PHE50 3.4 38.7 1.0 CA G:PHE50 3.5 35.6 1.0 NH1 A:ARG23 3.5 51.7 1.0 C36 A:9A2201 3.6 44.2 1.0 CB G:PHE50 3.8 34.7 1.0 CZ A:ARG23 3.9 49.7 1.0 CG G:PHE50 4.0 37.0 1.0 CG A:ARG23 4.2 38.5 1.0 CD1 A:LEU24 4.2 33.3 1.0 CB G:ALA53 4.2 42.4 1.0 N G:PHE50 4.2 33.0 1.0 OD2 A:ASP27 4.3 60.1 1.0 NH2 A:ARG23 4.3 53.2 1.0 CE1 G:PHE50 4.4 37.8 1.0 O G:PHE50 4.4 33.2 1.0 C G:PHE50 4.4 36.4 1.0 O G:LEU49 4.5 33.4 1.0 NE A:ARG23 4.5 46.0 1.0 C G:LEU49 4.7 33.5 1.0 C35 A:9A2201 4.7 42.3 1.0 O A:ARG23 4.8 28.6 1.0 CG A:ASP27 4.9 46.2 1.0 CD A:ARG23 4.9 42.2 1.0

Fluorine binding site 4 out of 42 in the Structure of Clpp From Staphylococcus Aureus in Complex with (S)-ZG197


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of Clpp From Staphylococcus Aureus in Complex with (S)-ZG197 within 5.0Å range: probe atom residue distance (Å) B Occ B:F201 b:54.0 occ:1.00 F42 B:9A2201 0.0 54.0 1.0 C38 B:9A2201 1.3 52.9 1.0 F40 B:9A2201 2.1 56.3 1.0 F41 B:9A2201 2.2 55.4 1.0 C37 B:9A2201 2.3 53.1 1.0 C36 B:9A2201 3.0 46.0 1.0 CA B:LEU24 3.4 28.7 1.0 NH1 B:ARG23 3.4 47.1 1.0 CD1 B:LEU24 3.5 34.9 1.0 O B:ARG23 3.6 30.1 1.0 OD2 B:ASP27 3.7 63.8 1.0 CG B:LEU24 3.7 32.6 1.0 CB B:ASP27 3.8 39.3 1.0 N B:LEU24 3.9 27.9 1.0 CG B:ASP27 3.9 47.9 1.0 C B:ARG23 4.0 28.1 1.0 CB B:LEU24 4.1 29.3 1.0 O B:LEU24 4.2 25.8 1.0 C35 B:9A2201 4.3 44.4 1.0 C B:LEU24 4.3 27.7 1.0 CZ B:ARG23 4.5 43.0 1.0 CD1 B:ILE29 4.5 29.6 1.0 CG B:ARG23 4.5 35.9 1.0 OD1 B:ASP27 4.8 48.3 1.0 N B:ASP27 4.9 32.8 1.0 CA B:ASP27 4.9 34.6 1.0

Fluorine binding site 5 out of 42 in the Structure of Clpp From Staphylococcus Aureus in Complex with (S)-ZG197


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of Clpp From Staphylococcus Aureus in Complex with (S)-ZG197 within 5.0Å range: probe atom residue distance (Å) B Occ B:F201 b:56.3 occ:1.00 F40 B:9A2201 0.0 56.3 1.0 C38 B:9A2201 1.3 52.9 1.0 F42 B:9A2201 2.1 54.0 1.0 F41 B:9A2201 2.1 55.4 1.0 C37 B:9A2201 2.3 53.1 1.0 C36 B:9A2201 2.7 46.0 1.0 CD1 B:LEU24 3.4 34.9 1.0 O A:LEU49 3.5 26.6 1.0 CA A:PHE50 3.6 28.2 1.0 N A:PHE50 3.6 27.5 1.0 C A:LEU49 3.6 28.5 1.0 CG B:LEU24 3.9 32.6 1.0 C35 B:9A2201 4.1 44.4 1.0 CB A:LEU49 4.1 31.5 1.0 CB A:ALA53 4.2 31.1 1.0 CB A:PHE50 4.4 29.8 1.0 CA A:LEU49 4.6 29.3 1.0 O A:HOH325 4.6 33.8 1.0 O1 B:9A2201 4.6 46.1 1.0 CD1 B:ILE29 4.7 29.6 1.0 C A:PHE50 4.7 28.3 1.0 CA B:LEU24 4.9 28.7 1.0 CD2 B:LEU24 4.9 34.9 1.0 O A:PHE50 4.9 30.3 1.0 CD1 A:PHE50 4.9 33.2 1.0 CB B:LEU24 5.0 29.3 1.0 OD2 B:ASP27 5.0 63.8 1.0 N34 B:9A2201 5.0 44.1 1.0

Fluorine binding site 6 out of 42 in the Structure of Clpp From Staphylococcus Aureus in Complex with (S)-ZG197


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structure of Clpp From Staphylococcus Aureus in Complex with (S)-ZG197 within 5.0Å range: probe atom residue distance (Å) B Occ B:F201 b:55.4 occ:1.00 F41 B:9A2201 0.0 55.4 1.0 C38 B:9A2201 1.3 52.9 1.0 F40 B:9A2201 2.1 56.3 1.0 F42 B:9A2201 2.2 54.0 1.0 C37 B:9A2201 2.2 53.1 1.0 NH1 B:ARG23 3.5 47.1 1.0 C36 B:9A2201 3.5 46.0 1.0 C5 B:MPD203 3.6 55.8 1.0 CD1 A:PHE50 3.7 33.2 1.0 CA A:PHE50 3.8 28.2 1.0 CZ B:ARG23 3.8 43.0 1.0 CB A:ALA53 3.9 31.1 1.0 CG B:ARG23 4.1 35.9 1.0 OD2 B:ASP27 4.2 63.8 1.0 NH2 B:ARG23 4.3 42.9 1.0 CB A:PHE50 4.3 29.8 1.0 CD1 B:LEU24 4.4 34.9 1.0 NE B:ARG23 4.4 40.3 1.0 O A:PHE50 4.4 30.3 1.0 CG A:PHE50 4.4 31.6 1.0 CE1 A:PHE50 4.5 35.1 1.0 O A:LEU49 4.6 26.6 1.0 N A:PHE50 4.6 27.5 1.0 C35 B:9A2201 4.7 44.4 1.0 C A:PHE50 4.7 28.3 1.0 O B:ARG23 4.8 30.1 1.0 CD B:ARG23 4.8 37.0 1.0 CG B:ASP27 4.8 47.9 1.0 C A:LEU49 4.9 28.5 1.0

Fluorine binding site 7 out of 42 in the Structure of Clpp From Staphylococcus Aureus in Complex with (S)-ZG197


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Structure of Clpp From Staphylococcus Aureus in Complex with (S)-ZG197 within 5.0Å range: probe atom residue distance (Å) B Occ C:F201 b:71.7 occ:1.00 F42 C:9A2201 0.0 71.7 1.0 C38 C:9A2201 1.3 64.2 1.0 F41 C:9A2201 2.1 66.1 1.0 F40 C:9A2201 2.2 66.0 1.0 C37 C:9A2201 2.3 63.2 1.0 C36 C:9A2201 2.8 61.0 1.0 OD2 C:ASP27 3.1 57.3 1.0 CA C:LEU24 3.4 34.5 1.0 CB C:ASP27 3.5 41.0 1.0 NH2 C:ARG23 3.6 47.6 1.0 CG C:ASP27 3.6 47.1 1.0 O C:ARG23 3.7 32.7 1.0 CD1 C:LEU24 3.7 38.1 1.0 CG C:LEU24 3.8 35.1 1.0 N C:LEU24 4.1 34.2 1.0 O C:LEU24 4.1 30.0 1.0 CB C:LEU24 4.1 35.1 1.0 C C:ARG23 4.2 33.1 1.0 C35 C:9A2201 4.2 62.6 1.0 C C:LEU24 4.3 32.9 1.0 CD1 C:ILE29 4.3 32.3 1.0 CZ C:ARG23 4.5 46.9 1.0 OD1 C:ASP27 4.7 48.5 1.0 CA C:ASP27 4.7 36.6 1.0 N C:ASP27 4.7 35.7 1.0 CG C:ARG23 4.8 38.2 1.0

Fluorine binding site 8 out of 42 in the Structure of Clpp From Staphylococcus Aureus in Complex with (S)-ZG197


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Structure of Clpp From Staphylococcus Aureus in Complex with (S)-ZG197 within 5.0Å range: probe atom residue distance (Å) B Occ C:F201 b:66.0 occ:1.00 F40 C:9A2201 0.0 66.0 1.0 C38 C:9A2201 1.3 64.2 1.0 F42 C:9A2201 2.2 71.7 1.0 F41 C:9A2201 2.2 66.1 1.0 C37 C:9A2201 2.3 63.2 1.0 C36 C:9A2201 2.9 61.0 1.0 CA B:PHE50 3.4 30.9 1.0 O B:LEU49 3.4 28.1 1.0 CD1 C:LEU24 3.4 38.1 1.0 N B:PHE50 3.5 31.8 1.0 C B:LEU49 3.5 31.8 1.0 CG C:LEU24 3.8 35.1 1.0 CB B:LEU49 4.1 34.5 1.0 CB B:ALA53 4.2 35.4 1.0 CB B:PHE50 4.2 30.8 1.0 C35 C:9A2201 4.2 62.6 1.0 CD1 C:ILE29 4.4 32.3 1.0 CA B:LEU49 4.5 33.9 1.0 O1 C:9A2201 4.5 66.7 1.0 C B:PHE50 4.6 29.9 1.0 OD2 C:ASP27 4.6 57.3 1.0 O B:PHE50 4.8 28.2 1.0 CA C:LEU24 4.8 34.5 1.0 O B:HOH315 4.8 33.4 1.0 CD1 B:PHE50 4.8 31.9 1.0 CD2 C:LEU24 4.8 35.6 1.0 CB C:LEU24 4.8 35.1 1.0 O B:SER46 5.0 30.5 1.0

Fluorine binding site 9 out of 42 in the Structure of Clpp From Staphylococcus Aureus in Complex with (S)-ZG197


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Structure of Clpp From Staphylococcus Aureus in Complex with (S)-ZG197 within 5.0Å range: probe atom residue distance (Å) B Occ C:F201 b:66.1 occ:1.00 F41 C:9A2201 0.0 66.1 1.0 C38 C:9A2201 1.3 64.2 1.0 F42 C:9A2201 2.1 71.7 1.0 F40 C:9A2201 2.2 66.0 1.0 C37 C:9A2201 2.3 63.2 1.0 CD1 B:PHE50 3.5 31.9 1.0 OD2 C:ASP27 3.6 57.3 1.0 C36 C:9A2201 3.6 61.0 1.0 NH2 C:ARG23 3.6 47.6 1.0 CA B:PHE50 3.7 30.9 1.0 CB B:ALA53 3.8 35.4 1.0 CZ C:ARG23 3.9 46.9 1.0 CB B:PHE50 4.1 30.8 1.0 NH1 C:ARG23 4.1 50.8 1.0 CG B:PHE50 4.2 31.3 1.0 O B:PHE50 4.2 28.2 1.0 CD1 C:LEU24 4.3 38.1 1.0 CE1 B:PHE50 4.3 32.9 1.0 CG C:ARG23 4.3 38.2 1.0 C B:PHE50 4.5 29.9 1.0 N B:PHE50 4.5 31.8 1.0 O B:LEU49 4.5 28.1 1.0 NE C:ARG23 4.5 43.4 1.0 CG C:ASP27 4.6 47.1 1.0 C35 C:9A2201 4.7 62.6 1.0 O C:ARG23 4.8 32.7 1.0 C B:LEU49 4.8 31.8 1.0

Fluorine binding site 10 out of 42 in the Structure of Clpp From Staphylococcus Aureus in Complex with (S)-ZG197


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Structure of Clpp From Staphylococcus Aureus in Complex with (S)-ZG197 within 5.0Å range: probe atom residue distance (Å) B Occ D:F201 b:69.8 occ:1.00 F42 D:9A2201 0.0 69.8 1.0 C38 D:9A2201 1.3 70.4 1.0 F41 D:9A2201 2.1 79.7 1.0 F40 D:9A2201 2.2 75.8 1.0 C37 D:9A2201 2.3 69.9 1.0 C36 D:9A2201 2.7 68.9 1.0 OD2 D:ASP27 3.0 70.1 1.0 NH2 D:ARG23 3.4 65.4 1.0 CG D:ASP27 3.6 57.5 1.0 CB D:ASP27 3.7 53.8 1.0 CA D:LEU24 3.7 42.3 1.0 O D:ARG23 3.7 45.0 1.0 CD1 D:LEU24 3.8 46.7 1.0 CG D:LEU24 4.0 45.5 1.0 C35 D:9A2201 4.1 71.3 1.0 N D:LEU24 4.2 44.1 1.0 C D:ARG23 4.2 42.9 1.0 CZ D:ARG23 4.3 60.6 1.0 CB D:LEU24 4.4 43.2 1.0 O D:LEU24 4.4 38.8 1.0 CD1 D:ILE29 4.5 42.7 1.0 C D:LEU24 4.5 39.9 1.0 CG D:ARG23 4.6 54.7 1.0 OD1 D:ASP27 4.6 67.0 1.0 NH1 D:ARG23 4.7 59.2 1.0 CA D:ASP27 4.9 46.3 1.0 N D:ASP27 4.9 45.8 1.0

B.Wei, T.Zhang, P.Wang, Y.Pan, J.Li, W.Chen, M.Zhang, Q.Ji, W.Wu, L.Lan, J.Gan, C.G.Yang. Anti-Infective Therapy Using Species-Specific Activators of Staphylococcus Aureus Clpp. Nat Commun V. 13 6909 2022.
ISSN: ESSN 2041-1723
PubMed: 36376309
DOI: 10.1038/S41467-022-34753-0