Fluorine in PDB 9irm: Structure of Clpp From Staphylococcus Aureus in Complex with ZG283

Enzymatic activity of Structure of Clpp From Staphylococcus Aureus in Complex with ZG283

All present enzymatic activity of Structure of Clpp From Staphylococcus Aureus in Complex with ZG283:
3.4.21.92;

Protein crystallography data

The structure of Structure of Clpp From Staphylococcus Aureus in Complex with ZG283, PDB code: 9irm was solved by B.Y.Wei, P.Y.Wang, T.Zhang, C.-G.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.89 / 1.81
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 95.41, 127.08, 146.1, 90, 95.38, 90
R / Rfree (%) 21.2 / 22.6

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 Structure of Clpp From Staphylococcus Aureus in Complex with ZG283 (pdb code 9irm). 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 ZG283, PDB code: 9irm:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 42 in 9irm

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Fluorine binding site 1 out of 42 in the Structure of Clpp From Staphylococcus Aureus in Complex with ZG283


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 ZG283 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F201

b:39.6
occ:1.00
 F41 A:WBW201 0.0 39.6 1.0
C38 A:WBW201 1.3 39.4 1.0
F42 A:WBW201 2.0 39.5 1.0
F40 A:WBW201 2.1 39.3 1.0
C37 A:WBW201 2.3 39.2 1.0
C36 A:WBW201 3.3 39.0 1.0
CA G:PHE50 3.4 25.0 1.0
CD1 A:LEU24 3.5 23.1 1.0
N G:PHE50 3.7 24.6 1.0
O G:LEU49 3.8 24.3 1.0
C G:LEU49 3.8 24.2 1.0
CB G:PHE50 4.0 25.2 1.0
CG A:LEU24 4.1 22.9 1.0
CG G:LEU49 4.2 24.4 1.0
CD2 G:LEU49 4.2 24.6 1.0
CD1 G:PHE50 4.3 25.5 1.0
CB G:LEU49 4.5 24.1 1.0
C35 A:WBW201 4.5 38.8 1.0
CB G:ALA53 4.5 29.3 1.0
CG G:PHE50 4.6 25.2 1.0
C G:PHE50 4.7 25.2 1.0
CA G:LEU49 4.8 23.9 1.0
O G:PHE50 4.8 25.1 1.0
O G:SER46 4.9 21.3 1.0
CA A:LEU24 4.9 22.6 1.0

Fluorine binding site 2 out of 42 in 9irm

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Fluorine binding site 2 out of 42 in the Structure of Clpp From Staphylococcus Aureus in Complex with ZG283


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 ZG283 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F201

b:39.3
occ:1.00
 F40 A:WBW201 0.0 39.3 1.0
C38 A:WBW201 1.3 39.4 1.0
F42 A:WBW201 2.0 39.5 1.0
F41 A:WBW201 2.1 39.6 1.0
C37 A:WBW201 2.3 39.2 1.0
C36 A:WBW201 2.8 39.0 1.0
NH2 A:ARG23 3.5 27.0 1.0
CA A:LEU24 3.7 22.6 1.0
O A:ARG23 3.8 23.3 1.0
CD1 A:LEU24 3.8 23.1 1.0
CG A:LEU24 4.0 22.9 1.0
CB A:ASP27 4.0 24.5 1.0
CG A:ASP27 4.1 25.3 1.0
N A:LEU24 4.2 22.9 1.0
CZ A:ARG23 4.2 26.7 1.0
C A:ARG23 4.2 23.4 1.0
OD1 A:ASP27 4.3 26.2 1.0
C35 A:WBW201 4.3 38.8 1.0
CB A:LEU24 4.4 22.7 1.0
CD1 A:ILE29 4.5 22.2 1.0
O A:LEU24 4.5 21.8 1.0
CG A:ARG23 4.5 24.9 1.0
C A:LEU24 4.6 22.3 1.0
NH1 A:ARG23 4.6 27.0 1.0
OD2 A:ASP27 4.7 26.7 1.0
NE A:ARG23 4.9 26.1 1.0

Fluorine binding site 3 out of 42 in 9irm

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Fluorine binding site 3 out of 42 in the Structure of Clpp From Staphylococcus Aureus in Complex with ZG283


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 ZG283 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F201

b:39.5
occ:1.00
 F42 A:WBW201 0.0 39.5 1.0
C38 A:WBW201 1.2 39.4 1.0
F41 A:WBW201 2.0 39.6 1.0
F40 A:WBW201 2.0 39.3 1.0
C37 A:WBW201 2.2 39.2 1.0
C36 A:WBW201 3.5 39.0 1.0
CZ A:ARG23 3.6 26.7 1.0
NH2 A:ARG23 3.6 27.0 1.0
CD1 G:PHE50 3.6 25.5 1.0
NH1 A:ARG23 3.7 27.0 1.0
CA G:PHE50 4.1 25.0 1.0
CB G:ALA53 4.2 29.3 1.0
NE A:ARG23 4.2 26.1 1.0
CG A:ARG23 4.3 24.9 1.0
CE1 G:PHE50 4.3 25.6 1.0
CG G:PHE50 4.5 25.2 1.0
CB G:PHE50 4.5 25.2 1.0
C35 A:WBW201 4.6 38.8 1.0
O G:PHE50 4.7 25.1 1.0
CD1 A:LEU24 4.8 23.1 1.0
O G:LEU49 4.9 24.3 1.0
CD A:ARG23 4.9 25.6 1.0
OD1 A:ASP27 4.9 26.2 1.0
O A:ARG23 4.9 23.3 1.0
N G:PHE50 4.9 24.6 1.0
C G:PHE50 4.9 25.2 1.0
CG A:ASP27 5.0 25.3 1.0

Fluorine binding site 4 out of 42 in 9irm

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Fluorine binding site 4 out of 42 in the Structure of Clpp From Staphylococcus Aureus in Complex with ZG283


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 ZG283 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F201

b:35.4
occ:1.00
 F41 B:WBW201 0.0 35.4 1.0
C38 B:WBW201 1.3 35.6 1.0
F40 B:WBW201 2.1 35.1 1.0
F42 B:WBW201 2.2 35.3 1.0
C37 B:WBW201 2.2 35.6 1.0
C36 B:WBW201 2.9 35.9 1.0
CB A:ALA53 3.7 25.1 1.0
C5 B:MPD203 3.7 40.4 1.0
CD1 A:PHE50 3.8 21.9 1.0
NH1 B:ARG23 3.8 24.5 1.0
CZ B:ARG23 3.9 24.1 1.0
NH2 B:ARG23 4.0 24.3 1.0
CA A:PHE50 4.0 21.3 1.0
C35 B:WBW201 4.1 35.9 1.0
NE B:ARG23 4.5 23.7 1.0
O B:HOH322 4.5 38.6 1.0
CB A:PHE50 4.5 21.5 1.0
O A:PHE50 4.6 21.6 1.0
CE1 A:PHE50 4.6 22.1 1.0
CG A:PHE50 4.6 21.8 1.0
CG B:ARG23 4.7 22.8 1.0
O A:LEU49 4.7 20.4 1.0
N A:PHE50 4.8 20.8 1.0
C A:PHE50 4.8 21.4 1.0
CG B:ASP27 4.9 25.1 1.0
CD1 B:LEU24 4.9 21.6 1.0
OD1 B:ASP27 4.9 25.7 1.0
C4 B:MPD203 5.0 40.5 1.0
OD2 B:ASP27 5.0 26.4 1.0

Fluorine binding site 5 out of 42 in 9irm

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Fluorine binding site 5 out of 42 in the Structure of Clpp From Staphylococcus Aureus in Complex with ZG283


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 ZG283 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F201

b:35.1
occ:1.00
 F40 B:WBW201 0.0 35.1 1.0
C38 B:WBW201 1.3 35.6 1.0
F41 B:WBW201 2.1 35.4 1.0
F42 B:WBW201 2.2 35.3 1.0
C37 B:WBW201 2.2 35.6 1.0
C36 B:WBW201 2.6 35.9 1.0
CA B:LEU24 3.6 21.5 1.0
NH2 B:ARG23 3.7 24.3 1.0
O B:ARG23 3.7 21.6 1.0
CD1 B:LEU24 3.9 21.6 1.0
CB B:ASP27 3.9 24.4 1.0
CG B:LEU24 4.0 21.6 1.0
CG B:ASP27 4.1 25.1 1.0
C35 B:WBW201 4.1 35.9 1.0
N B:LEU24 4.1 21.5 1.0
C B:ARG23 4.2 21.8 1.0
CD1 B:ILE29 4.2 21.6 1.0
CZ B:ARG23 4.3 24.1 1.0
OD1 B:ASP27 4.3 25.7 1.0
CB B:LEU24 4.4 21.4 1.0
O B:LEU24 4.4 21.0 1.0
C B:LEU24 4.5 21.4 1.0
OD2 B:ASP27 4.6 26.4 1.0
NH1 B:ARG23 4.6 24.5 1.0
CG B:ARG23 4.6 22.8 1.0
N34 B:WBW201 4.8 36.4 1.0
NE B:ARG23 5.0 23.7 1.0

Fluorine binding site 6 out of 42 in 9irm

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Fluorine binding site 6 out of 42 in the Structure of Clpp From Staphylococcus Aureus in Complex with ZG283


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 ZG283 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F201

b:35.3
occ:1.00
 F42 B:WBW201 0.0 35.3 1.0
C38 B:WBW201 1.3 35.6 1.0
C37 B:WBW201 2.0 35.6 1.0
F40 B:WBW201 2.2 35.1 1.0
F41 B:WBW201 2.2 35.4 1.0
CD1 B:LEU24 3.3 21.6 1.0
CA A:PHE50 3.3 21.3 1.0
C36 B:WBW201 3.4 35.9 1.0
N A:PHE50 3.5 20.8 1.0
CB A:PHE50 3.8 21.5 1.0
CG B:LEU24 3.8 21.6 1.0
C A:LEU49 3.8 20.4 1.0
O A:LEU49 3.9 20.4 1.0
CD2 A:LEU49 4.1 20.4 1.0
CG A:LEU49 4.2 20.3 1.0
CD1 A:PHE50 4.3 21.9 1.0
CB A:LEU49 4.4 20.1 1.0
CG A:PHE50 4.5 21.8 1.0
C35 B:WBW201 4.6 35.9 1.0
CB A:ALA53 4.6 25.1 1.0
C A:PHE50 4.6 21.4 1.0
O A:SER46 4.6 18.1 1.0
CA B:LEU24 4.7 21.5 1.0
CA A:LEU49 4.8 20.1 1.0
CD2 B:LEU24 4.8 21.5 1.0
CB B:LEU24 4.9 21.4 1.0
CD1 B:ILE29 4.9 21.6 1.0
O A:PHE50 4.9 21.6 1.0

Fluorine binding site 7 out of 42 in 9irm

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Fluorine binding site 7 out of 42 in the Structure of Clpp From Staphylococcus Aureus in Complex with ZG283


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 ZG283 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F201

b:38.4
occ:1.00
 F41 C:WBW201 0.0 38.4 1.0
C38 C:WBW201 1.2 38.4 1.0
C37 C:WBW201 2.0 38.3 1.0
F40 C:WBW201 2.1 38.5 1.0
F42 C:WBW201 2.2 38.4 1.0
C36 C:WBW201 3.4 38.2 1.0
CD1 B:PHE50 3.5 23.2 1.0
CZ C:ARG23 3.6 29.2 1.0
NH1 C:ARG23 3.7 29.6 1.0
NH2 C:ARG23 3.8 29.4 1.0
CA B:PHE50 4.1 22.2 1.0
NE C:ARG23 4.1 29.0 1.0
OD2 C:ASP27 4.2 30.0 1.0
CE1 B:PHE50 4.2 23.4 1.0
CB B:ALA53 4.2 25.7 1.0
CG C:ARG23 4.2 28.1 1.0
CG B:PHE50 4.4 22.9 1.0
CB B:PHE50 4.4 22.6 1.0
C35 C:WBW201 4.6 38.1 1.0
O B:PHE50 4.6 22.2 1.0
CD1 C:LEU24 4.6 26.2 1.0
CD C:ARG23 4.8 28.5 1.0
C B:PHE50 4.9 22.4 1.0
O C:ARG23 4.9 26.8 1.0
N B:PHE50 5.0 21.8 1.0

Fluorine binding site 8 out of 42 in 9irm

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Fluorine binding site 8 out of 42 in the Structure of Clpp From Staphylococcus Aureus in Complex with ZG283


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 ZG283 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F201

b:38.5
occ:1.00
 F40 C:WBW201 0.0 38.5 1.0
C38 C:WBW201 1.3 38.4 1.0
F41 C:WBW201 2.1 38.4 1.0
F42 C:WBW201 2.1 38.4 1.0
C37 C:WBW201 2.2 38.3 1.0
C36 C:WBW201 2.8 38.2 1.0
NH2 C:ARG23 3.5 29.4 1.0
OD2 C:ASP27 3.6 30.0 1.0
CD1 C:LEU24 3.6 26.2 1.0
CA C:LEU24 3.7 26.2 1.0
O C:ARG23 3.7 26.8 1.0
CB C:ASP27 4.0 28.8 1.0
CG C:LEU24 4.1 26.2 1.0
CZ C:ARG23 4.1 29.2 1.0
N C:LEU24 4.1 26.4 1.0
C C:ARG23 4.2 26.9 1.0
CG C:ASP27 4.2 29.4 1.0
C35 C:WBW201 4.2 38.1 1.0
CG C:ARG23 4.4 28.1 1.0
CB C:LEU24 4.5 26.2 1.0
CD1 C:ILE29 4.5 25.6 1.0
O C:LEU24 4.5 25.6 1.0
NH1 C:ARG23 4.5 29.6 1.0
C C:LEU24 4.6 26.0 1.0
NE C:ARG23 4.8 29.0 1.0
N34 C:WBW201 5.0 38.1 1.0

Fluorine binding site 9 out of 42 in 9irm

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Fluorine binding site 9 out of 42 in the Structure of Clpp From Staphylococcus Aureus in Complex with ZG283


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 ZG283 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F201

b:38.4
occ:1.00
 F42 C:WBW201 0.0 38.4 1.0
C38 C:WBW201 1.3 38.4 1.0
F40 C:WBW201 2.1 38.5 1.0
F41 C:WBW201 2.2 38.4 1.0
C37 C:WBW201 2.2 38.3 1.0
C36 C:WBW201 2.8 38.2 1.0
CD1 C:LEU24 3.5 26.2 1.0
CA B:PHE50 3.5 22.2 1.0
N B:PHE50 3.7 21.8 1.0
O B:LEU49 3.9 21.1 1.0
C B:LEU49 3.9 21.4 1.0
CD2 B:LEU49 4.1 21.4 1.0
C35 C:WBW201 4.1 38.1 1.0
CB B:PHE50 4.1 22.6 1.0
CG B:LEU49 4.1 21.3 1.0
CG C:LEU24 4.2 26.2 1.0
CB B:ALA53 4.3 25.7 1.0
CD1 B:PHE50 4.4 23.2 1.0
CB B:LEU49 4.5 21.1 1.0
C B:PHE50 4.7 22.4 1.0
CG B:PHE50 4.8 22.9 1.0
O1 C:WBW201 4.8 38.5 1.0
CD1 C:ILE29 4.9 25.6 1.0
O B:PHE50 4.9 22.2 1.0
CA B:LEU49 4.9 21.0 1.0
N34 C:WBW201 4.9 38.1 1.0

Fluorine binding site 10 out of 42 in 9irm

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Fluorine binding site 10 out of 42 in the Structure of Clpp From Staphylococcus Aureus in Complex with ZG283


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 ZG283 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F201

b:48.1
occ:1.00
 F41 D:WBW201 0.0 48.1 1.0
C38 D:WBW201 1.3 48.5 1.0
F40 D:WBW201 2.1 48.7 1.0
F42 D:WBW201 2.1 48.6 1.0
C37 D:WBW201 2.4 48.4 1.0
C36 D:WBW201 2.9 48.1 1.0
CD1 D:LEU24 3.4 31.3 1.0
CA D:LEU24 3.6 31.6 1.0
NH2 D:ARG23 3.6 34.5 1.0
O D:ARG23 3.7 32.3 1.0
CG D:LEU24 3.8 31.4 1.0
N D:LEU24 4.0 31.8 1.0
C D:ARG23 4.1 32.3 1.0
CZ D:ARG23 4.2 34.3 1.0
CB D:LEU24 4.3 31.4 1.0
CB D:ASP27 4.3 35.0 1.0
C35 D:WBW201 4.3 48.0 1.0
CG D:ASP27 4.4 35.8 1.0
CG D:ARG23 4.4 33.3 1.0
CD1 D:ILE29 4.5 30.2 1.0
O D:LEU24 4.5 31.2 1.0
C D:LEU24 4.5 31.5 1.0
NH1 D:ARG23 4.7 34.7 1.0
OD1 D:ASP27 4.7 36.7 1.0
OD2 D:ASP27 4.8 36.6 1.0
CD1 C:PHE50 4.9 30.1 1.0
NE D:ARG23 4.9 33.9 1.0

Reference:

B.Y.Wei, P.Y.Wang, T.Zhang, C.-G.Yang. Structure of Clpp From Staphylococcus Aureus in Complex with ZG283 To Be Published.
Page generated: Thu Oct 31 20:07:51 2024

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