Fluorine in PDB 7wid: Crystal Structure of Staphylococcus Aureus Clpp in Complex with ZG180

Enzymatic activity of Crystal Structure of Staphylococcus Aureus Clpp in Complex with ZG180

All present enzymatic activity of Crystal Structure of Staphylococcus Aureus Clpp in Complex with ZG180:
3.4.21.92;

Protein crystallography data

The structure of Crystal Structure of Staphylococcus Aureus Clpp in Complex with ZG180, PDB code: 7wid was solved by B.Y.Wei, J.H.Gan, C.-G.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 94.178, 126.385, 145.449, 90, 94.09, 90
R / Rfree (%) 19.7 / 20.6

Other elements in 7wid:

The structure of Crystal Structure of Staphylococcus Aureus Clpp in Complex with ZG180 also contains other interesting chemical elements:

Magnesium (Mg) 13 atoms

Fluorine Binding Sites:

Pages:

>>> 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 Crystal Structure of Staphylococcus Aureus Clpp in Complex with ZG180 (pdb code 7wid). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 42 binding sites of Fluorine where determined in the Crystal Structure of Staphylococcus Aureus Clpp in Complex with ZG180, PDB code: 7wid:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 42 in 7wid

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Fluorine binding site 1 out of 42 in the Crystal Structure of Staphylococcus Aureus Clpp in Complex with ZG180


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 Staphylococcus Aureus Clpp in Complex with ZG180 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F201

b:20.5
occ:1.00
 F40 A:9DF201 0.0 20.5 1.0
C38 A:9DF201 1.4 20.5 1.0
F42 A:9DF201 2.2 20.1 1.0
F41 A:9DF201 2.3 20.7 1.0
C37 A:9DF201 2.3 20.6 1.0
C36 A:9DF201 2.8 20.6 1.0
NH2 A:ARG23 3.5 20.5 1.0
CA A:LEU24 3.6 13.4 1.0
O A:ARG23 3.7 14.0 1.0
CD1 A:LEU24 3.8 13.9 1.0
CB A:ASP27 3.8 17.4 1.0
CG A:LEU24 3.9 13.9 1.0
CD1 A:ILE29 4.1 12.9 1.0
N A:LEU24 4.1 13.7 1.0
CG A:ASP27 4.1 18.9 1.0
C A:ARG23 4.2 14.7 1.0
OD1 A:ASP27 4.2 20.9 1.0
C35 A:9DF201 4.2 20.5 1.0
CZ A:ARG23 4.3 20.3 1.0
O A:LEU24 4.3 12.6 1.0
CB A:LEU24 4.3 13.8 1.0
C A:LEU24 4.4 13.2 1.0
CG A:ARG23 4.6 17.6 1.0
N34 A:9DF201 4.7 20.6 1.0
NH1 A:ARG23 4.7 21.5 1.0
OD2 A:ASP27 4.9 21.7 1.0
N A:ASP27 4.9 15.8 1.0
CA A:ASP27 5.0 16.1 1.0
NE A:ARG23 5.0 19.1 1.0

Fluorine binding site 2 out of 42 in 7wid

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Fluorine binding site 2 out of 42 in the Crystal Structure of Staphylococcus Aureus Clpp in Complex with ZG180


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Staphylococcus Aureus Clpp in Complex with ZG180 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F201

b:20.7
occ:1.00
 F41 A:9DF201 0.0 20.7 1.0
C38 A:9DF201 1.4 20.5 1.0
C37 A:9DF201 2.2 20.6 1.0
F42 A:9DF201 2.2 20.1 1.0
F40 A:9DF201 2.3 20.5 1.0
CD1 A:LEU24 3.1 13.9 1.0
N G:PHE50 3.3 14.3 1.0
CA G:PHE50 3.4 15.0 1.0
C36 A:9DF201 3.5 20.6 1.0
CG A:LEU24 3.6 13.9 1.0
C G:LEU49 3.7 13.9 1.0
CB G:PHE50 3.8 15.1 1.0
CD2 G:LEU49 3.9 14.1 1.0
CG G:LEU49 3.9 13.9 1.0
O G:LEU49 4.0 14.1 1.0
CB G:LEU49 4.0 13.7 1.0
O G:SER46 4.3 12.1 1.0
CA G:LEU49 4.5 13.6 1.0
CD2 A:LEU24 4.5 14.1 1.0
CD1 G:PHE50 4.6 16.1 1.0
C35 A:9DF201 4.6 20.5 1.0
CA A:LEU24 4.7 13.4 1.0
CG G:PHE50 4.7 15.7 1.0
CD1 A:ILE29 4.7 12.9 1.0
CB A:LEU24 4.7 13.8 1.0
C G:PHE50 4.7 15.2 1.0

Fluorine binding site 3 out of 42 in 7wid

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Fluorine binding site 3 out of 42 in the Crystal Structure of Staphylococcus Aureus Clpp in Complex with ZG180


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Staphylococcus Aureus Clpp in Complex with ZG180 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F201

b:20.1
occ:1.00
 F42 A:9DF201 0.0 20.1 1.0
C38 A:9DF201 1.4 20.5 1.0
F40 A:9DF201 2.2 20.5 1.0
F41 A:9DF201 2.2 20.7 1.0
C37 A:9DF201 2.3 20.6 1.0
C36 A:9DF201 2.7 20.6 1.0
CD1 G:PHE50 3.6 16.1 1.0
CA G:PHE50 3.7 15.0 1.0
NH2 A:ARG23 3.9 20.5 1.0
CZ A:ARG23 3.9 20.3 1.0
CB G:ALA53 3.9 20.1 1.0
NH1 A:ARG23 3.9 21.5 1.0
C35 A:9DF201 4.0 20.5 1.0
CB G:PHE50 4.0 15.1 1.0
CG G:PHE50 4.3 15.7 1.0
N G:PHE50 4.4 14.3 1.0
O G:PHE50 4.4 15.6 1.0
NE A:ARG23 4.4 19.1 1.0
CG A:ARG23 4.5 17.6 1.0
CE1 G:PHE50 4.5 16.6 1.0
O G:LEU49 4.6 14.1 1.0
C G:PHE50 4.6 15.2 1.0
O A:HOH348 4.6 33.9 1.0
CD1 A:LEU24 4.7 13.9 1.0
C G:LEU49 4.8 13.9 1.0
OD1 A:ASP27 4.9 20.9 1.0

Fluorine binding site 4 out of 42 in 7wid

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Fluorine binding site 4 out of 42 in the Crystal Structure of Staphylococcus Aureus Clpp in Complex with ZG180


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Staphylococcus Aureus Clpp in Complex with ZG180 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F201

b:16.6
occ:1.00
 F40 B:9DF201 0.0 16.6 1.0
C38 B:9DF201 1.4 17.0 1.0
F41 B:9DF201 2.2 17.1 1.0
C37 B:9DF201 2.2 17.2 1.0
F42 B:9DF201 2.3 17.3 1.0
CD1 B:LEU24 3.1 12.7 1.0
N A:PHE50 3.4 12.3 1.0
CA A:PHE50 3.4 13.0 1.0
C36 B:9DF201 3.5 17.2 1.0
CG B:LEU24 3.6 12.7 1.0
C A:LEU49 3.7 11.9 1.0
CB A:PHE50 3.8 13.4 1.0
CD2 A:LEU49 3.8 12.1 1.0
CG A:LEU49 3.9 11.8 1.0
O A:LEU49 3.9 11.6 1.0
CB A:LEU49 4.1 11.8 1.0
O A:SER46 4.4 11.4 1.0
CD2 B:LEU24 4.5 12.8 1.0
CA A:LEU49 4.5 11.7 1.0
CD1 A:PHE50 4.6 14.3 1.0
C35 B:9DF201 4.6 17.3 1.0
CA B:LEU24 4.7 12.8 1.0
CG A:PHE50 4.7 14.1 1.0
CD1 B:ILE29 4.7 12.7 1.0
C A:PHE50 4.7 12.9 1.0
CB B:LEU24 4.7 12.8 1.0

Fluorine binding site 5 out of 42 in 7wid

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Fluorine binding site 5 out of 42 in the Crystal Structure of Staphylococcus Aureus Clpp in Complex with ZG180


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of Staphylococcus Aureus Clpp in Complex with ZG180 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F201

b:17.1
occ:1.00
 F41 B:9DF201 0.0 17.1 1.0
C38 B:9DF201 1.4 17.0 1.0
F42 B:9DF201 2.2 17.3 1.0
F40 B:9DF201 2.2 16.6 1.0
C37 B:9DF201 2.3 17.2 1.0
C36 B:9DF201 2.6 17.2 1.0
CD1 A:PHE50 3.6 14.3 1.0
CA A:PHE50 3.6 13.0 1.0
C5 B:MPD204 3.8 25.1 1.0
CB A:ALA53 3.8 16.3 1.0
CZ B:ARG23 3.9 16.8 1.0
NH2 B:ARG23 4.0 16.5 1.0
NH1 B:ARG23 4.0 17.8 1.0
C35 B:9DF201 4.0 17.3 1.0
CB A:PHE50 4.1 13.4 1.0
CG A:PHE50 4.3 14.1 1.0
O A:PHE50 4.3 12.6 1.0
N A:PHE50 4.4 12.3 1.0
NE B:ARG23 4.4 16.1 1.0
CG B:ARG23 4.5 15.0 1.0
O A:LEU49 4.5 11.6 1.0
C A:PHE50 4.5 12.9 1.0
CE1 A:PHE50 4.5 14.9 1.0
CD1 B:LEU24 4.7 12.7 1.0
O B:HOH378 4.7 26.1 1.0
C A:LEU49 4.7 11.9 1.0

Fluorine binding site 6 out of 42 in 7wid

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Fluorine binding site 6 out of 42 in the Crystal Structure of Staphylococcus Aureus Clpp in Complex with ZG180


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of Staphylococcus Aureus Clpp in Complex with ZG180 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F201

b:17.3
occ:1.00
 F42 B:9DF201 0.0 17.3 1.0
C38 B:9DF201 1.4 17.0 1.0
F41 B:9DF201 2.2 17.1 1.0
C37 B:9DF201 2.3 17.2 1.0
F40 B:9DF201 2.3 16.6 1.0
C36 B:9DF201 2.7 17.2 1.0
NH2 B:ARG23 3.5 16.5 1.0
CA B:LEU24 3.6 12.8 1.0
CD1 B:LEU24 3.7 12.7 1.0
O B:ARG23 3.8 13.4 1.0
CG B:LEU24 3.9 12.7 1.0
CB B:ASP27 3.9 16.0 1.0
N B:LEU24 4.1 13.0 1.0
CD1 B:ILE29 4.1 12.7 1.0
C35 B:9DF201 4.2 17.3 1.0
C B:ARG23 4.2 13.6 1.0
CZ B:ARG23 4.2 16.8 1.0
CG B:ASP27 4.2 17.1 1.0
OD1 B:ASP27 4.2 17.7 1.0
CB B:LEU24 4.3 12.8 1.0
O B:LEU24 4.4 12.2 1.0
C B:LEU24 4.5 12.8 1.0
CG B:ARG23 4.5 15.0 1.0
N34 B:9DF201 4.6 17.2 1.0
NH1 B:ARG23 4.7 17.8 1.0
NE B:ARG23 4.9 16.1 1.0
OD2 B:ASP27 5.0 19.4 1.0
N B:ASP27 5.0 15.0 1.0

Fluorine binding site 7 out of 42 in 7wid

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Fluorine binding site 7 out of 42 in the Crystal Structure of Staphylococcus Aureus Clpp in Complex with ZG180


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of Staphylococcus Aureus Clpp in Complex with ZG180 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F201

b:21.8
occ:1.00
 F40 C:9DF201 0.0 21.8 1.0
C38 C:9DF201 1.4 21.6 1.0
F42 C:9DF201 2.3 21.5 1.0
C37 C:9DF201 2.3 21.8 1.0
F41 C:9DF201 2.3 22.3 1.0
C36 C:9DF201 2.6 21.2 1.0
CA C:LEU24 3.5 15.4 1.0
NH2 C:ARG23 3.6 22.0 1.0
CD1 C:LEU24 3.7 16.1 1.0
CG C:LEU24 3.8 15.9 1.0
CB C:ASP27 3.8 20.2 1.0
O C:ARG23 3.8 15.9 1.0
CD1 C:ILE29 4.0 15.4 1.0
C35 C:9DF201 4.1 20.8 1.0
N C:LEU24 4.1 15.5 1.0
CG C:ASP27 4.2 21.7 1.0
CB C:LEU24 4.2 15.6 1.0
C C:ARG23 4.2 16.0 1.0
O C:LEU24 4.2 14.4 1.0
OD1 C:ASP27 4.3 23.0 1.0
CZ C:ARG23 4.3 21.8 1.0
C C:LEU24 4.4 15.1 1.0
N34 C:9DF201 4.6 21.1 1.0
CG C:ARG23 4.7 18.8 1.0
NH1 C:ARG23 4.7 23.1 1.0
OD2 C:ASP27 4.9 24.0 1.0
N C:ASP27 5.0 18.7 1.0
CA C:ASP27 5.0 18.8 1.0
CD2 B:LEU49 5.0 14.1 1.0

Fluorine binding site 8 out of 42 in 7wid

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Fluorine binding site 8 out of 42 in the Crystal Structure of Staphylococcus Aureus Clpp in Complex with ZG180


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of Staphylococcus Aureus Clpp in Complex with ZG180 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F201

b:22.3
occ:1.00
 F41 C:9DF201 0.0 22.3 1.0
C38 C:9DF201 1.4 21.6 1.0
F42 C:9DF201 2.2 21.5 1.0
C37 C:9DF201 2.2 21.8 1.0
F40 C:9DF201 2.3 21.8 1.0
CD1 C:LEU24 3.1 16.1 1.0
N B:PHE50 3.3 13.4 1.0
CA B:PHE50 3.4 13.7 1.0
C36 C:9DF201 3.5 21.2 1.0
CG C:LEU24 3.5 15.9 1.0
C B:LEU49 3.6 13.4 1.0
CD2 B:LEU49 3.8 14.1 1.0
CB B:PHE50 3.8 14.3 1.0
CG B:LEU49 3.8 13.7 1.0
O B:LEU49 3.9 13.4 1.0
CB B:LEU49 4.0 13.5 1.0
O B:SER46 4.4 11.9 1.0
CD2 C:LEU24 4.4 16.3 1.0
CA B:LEU49 4.5 13.2 1.0
CD1 C:ILE29 4.6 15.4 1.0
CD1 B:PHE50 4.6 15.7 1.0
C35 C:9DF201 4.7 20.8 1.0
CA C:LEU24 4.7 15.4 1.0
CB C:LEU24 4.7 15.6 1.0
C B:PHE50 4.7 13.3 1.0
CG B:PHE50 4.7 15.1 1.0
CB B:ALA53 4.9 16.9 1.0
O1 C:9DF201 5.0 20.5 1.0

Fluorine binding site 9 out of 42 in 7wid

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Fluorine binding site 9 out of 42 in the Crystal Structure of Staphylococcus Aureus Clpp in Complex with ZG180


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Crystal Structure of Staphylococcus Aureus Clpp in Complex with ZG180 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F201

b:21.5
occ:1.00
 F42 C:9DF201 0.0 21.5 1.0
C38 C:9DF201 1.4 21.6 1.0
F41 C:9DF201 2.2 22.3 1.0
F40 C:9DF201 2.3 21.8 1.0
C37 C:9DF201 2.3 21.8 1.0
C36 C:9DF201 2.7 21.2 1.0
CA B:PHE50 3.6 13.7 1.0
CD1 B:PHE50 3.6 15.7 1.0
CB B:ALA53 3.7 16.9 1.0
CZ C:ARG23 3.9 21.8 1.0
NH1 C:ARG23 3.9 23.1 1.0
NH2 C:ARG23 4.0 22.0 1.0
C35 C:9DF201 4.1 20.8 1.0
CB B:PHE50 4.1 14.3 1.0
CG B:PHE50 4.3 15.1 1.0
O B:PHE50 4.3 12.6 1.0
N B:PHE50 4.3 13.4 1.0
O B:LEU49 4.4 13.4 1.0
NE C:ARG23 4.5 20.8 1.0
C B:PHE50 4.5 13.3 1.0
CG C:ARG23 4.5 18.8 1.0
CE1 B:PHE50 4.6 16.0 1.0
CD1 C:LEU24 4.6 16.1 1.0
C B:LEU49 4.7 13.4 1.0

Fluorine binding site 10 out of 42 in 7wid

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Fluorine binding site 10 out of 42 in the Crystal Structure of Staphylococcus Aureus Clpp in Complex with ZG180


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Crystal Structure of Staphylococcus Aureus Clpp in Complex with ZG180 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F201

b:26.9
occ:1.00
 F40 D:9DF201 0.0 26.9 1.0
C38 D:9DF201 1.4 27.4 1.0
F41 D:9DF201 2.2 27.0 1.0
F42 D:9DF201 2.3 27.8 1.0
C37 D:9DF201 2.3 27.6 1.0
C36 D:9DF201 2.7 27.2 1.0
CD1 C:PHE50 3.6 20.9 1.0
CA C:PHE50 3.7 19.0 1.0
CB C:ALA53 3.8 24.2 1.0
CZ D:ARG23 3.9 26.1 1.0
NH2 D:ARG23 3.9 25.8 1.0
NH1 D:ARG23 4.0 27.2 1.0
CB C:PHE50 4.1 19.5 1.0
C35 D:9DF201 4.1 26.3 1.0
CG C:PHE50 4.3 20.3 1.0
O C:PHE50 4.4 18.6 1.0
NE D:ARG23 4.4 25.3 1.0
CG D:ARG23 4.4 23.6 1.0
N C:PHE50 4.4 18.1 1.0
CE1 C:PHE50 4.5 21.4 1.0
O C:LEU49 4.6 17.4 1.0
C C:PHE50 4.6 19.2 1.0
CD1 D:LEU24 4.6 20.4 1.0
C C:LEU49 4.8 18.0 1.0

Reference:

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
Page generated: Fri Aug 2 14:49:22 2024

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