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Fluorine in PDB 6ttz: Structure of the Clpp:ADEP4-Complex From Staphylococcus Aureus (Open State)

Enzymatic activity of Structure of the Clpp:ADEP4-Complex From Staphylococcus Aureus (Open State)

All present enzymatic activity of Structure of the Clpp:ADEP4-Complex From Staphylococcus Aureus (Open State):
3.4.21.92;

Protein crystallography data

The structure of Structure of the Clpp:ADEP4-Complex From Staphylococcus Aureus (Open State), PDB code: 6ttz was solved by I.T.Malik, R.Pereira, M.-T.Vielberg, C.Mayer, J.Straetener, D.Thomy, K.Famulla, H.C.Castro, P.Sass, M.Groll, H.Broetz-Oesterheldt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.20
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 96.520, 96.520, 586.820, 90.00, 90.00, 120.00
R / Rfree (%) 20.4 / 23.8

Fluorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Fluorine atom in the Structure of the Clpp:ADEP4-Complex From Staphylococcus Aureus (Open State) (pdb code 6ttz). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 14 binding sites of Fluorine where determined in the Structure of the Clpp:ADEP4-Complex From Staphylococcus Aureus (Open State), PDB code: 6ttz:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 14 in 6ttz

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Fluorine binding site 1 out of 14 in the Structure of the Clpp:ADEP4-Complex From Staphylococcus Aureus (Open State)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of the Clpp:ADEP4-Complex From Staphylococcus Aureus (Open State) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F901

b:32.8
occ:1.00
 F1 A:NWT901 0.0 32.8 1.0
C12 A:NWT901 1.1 31.7 1.0
C13 A:NWT901 2.2 31.9 1.0
C11 A:NWT901 2.2 31.7 1.0
C14 A:NWT901 3.4 33.2 1.0
C10 A:NWT901 3.4 32.8 1.0
CG2 A:ILE93 3.4 40.4 1.0
CD1 G:LEU49 3.5 33.9 1.0
CG1 G:VAL45 3.6 28.8 1.0
CD2 A:TYR63 3.6 32.5 1.0
CE2 A:TYR63 3.7 32.0 1.0
C15 A:NWT901 3.8 32.8 1.0
CG A:TYR63 4.2 31.7 1.0
F2 A:NWT901 4.4 35.4 1.0
CZ A:TYR63 4.4 31.9 1.0
CG G:LEU49 4.5 33.9 1.0
CD2 G:LEU49 4.6 33.9 1.0
CD1 A:ILE93 4.6 44.5 1.0
CB A:ILE93 4.6 40.2 1.0
C9 A:NWT901 4.6 32.9 1.0
OG1 G:THR80 4.7 34.5 1.0
CG2 A:ILE91 4.8 32.6 1.0
CD1 A:TYR63 4.8 31.0 1.0
CB A:TYR63 4.8 31.4 1.0
CE1 A:TYR63 4.9 30.9 1.0
CG1 A:ILE93 4.9 42.5 1.0
CD1 A:LEU115 5.0 35.0 1.0

Fluorine binding site 2 out of 14 in 6ttz

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Fluorine binding site 2 out of 14 in the Structure of the Clpp:ADEP4-Complex From Staphylococcus Aureus (Open State)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of the Clpp:ADEP4-Complex From Staphylococcus Aureus (Open State) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F901

b:35.4
occ:1.00
 F2 A:NWT901 0.0 35.4 1.0
C14 A:NWT901 1.2 33.2 1.0
C15 A:NWT901 2.2 32.8 1.0
C13 A:NWT901 2.2 31.9 1.0
CB G:HIS83 3.4 40.3 1.0
C12 A:NWT901 3.5 31.7 1.0
C10 A:NWT901 3.5 32.8 1.0
CD1 A:LEU115 3.5 35.0 1.0
CA G:THR80 3.6 34.4 1.0
CG G:HIS83 3.6 41.8 1.0
ND1 G:HIS83 3.8 41.6 1.0
CD2 A:LEU115 3.8 32.3 1.0
OG1 G:THR80 3.8 34.5 1.0
CG2 G:THR80 3.9 32.4 1.0
C11 A:NWT901 3.9 31.7 1.0
CB G:THR80 4.0 34.4 1.0
O G:ASP79 4.0 36.3 1.0
N G:THR80 4.2 33.7 1.0
CG A:LEU115 4.3 33.5 1.0
F1 A:NWT901 4.4 32.8 1.0
CD2 G:HIS83 4.4 41.0 1.0
C G:ASP79 4.4 34.2 1.0
O G:THR80 4.4 31.8 1.0
CD2 G:LEU49 4.5 33.9 1.0
C G:THR80 4.5 33.6 1.0
CE1 G:HIS83 4.6 41.8 1.0
C9 A:NWT901 4.6 32.9 1.0
CA G:HIS83 4.8 40.8 1.0
NE2 G:HIS83 4.9 40.6 1.0

Fluorine binding site 3 out of 14 in 6ttz

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Fluorine binding site 3 out of 14 in the Structure of the Clpp:ADEP4-Complex From Staphylococcus Aureus (Open State)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of the Clpp:ADEP4-Complex From Staphylococcus Aureus (Open State) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F901

b:35.7
occ:1.00
 F1 B:NWT901 0.0 35.7 1.0
C12 B:NWT901 1.1 37.8 1.0
C13 B:NWT901 2.2 37.5 1.0
C11 B:NWT901 2.2 38.6 1.0
CG2 B:ILE93 3.3 41.4 1.0
C14 B:NWT901 3.4 38.0 1.0
C10 B:NWT901 3.5 39.4 1.0
CD1 A:LEU49 3.5 30.2 1.0
CD2 B:TYR63 3.5 32.3 1.0
CG1 A:VAL45 3.6 29.4 1.0
CE2 B:TYR63 3.6 33.2 1.0
C15 B:NWT901 3.9 38.9 1.0
F2 B:NWT901 4.2 37.8 1.0
CG B:TYR63 4.3 33.4 1.0
CD1 B:ILE93 4.3 42.7 1.0
CB B:ILE93 4.4 40.0 1.0
CG A:LEU49 4.5 33.0 1.0
CZ B:TYR63 4.5 33.5 1.0
CD2 A:LEU49 4.6 32.4 1.0
C9 B:NWT901 4.7 41.0 1.0
OG1 A:THR80 4.7 30.9 1.0
CG1 B:ILE93 4.7 41.1 1.0
CG2 B:ILE91 4.9 32.4 1.0
CB B:TYR63 4.9 33.5 1.0

Fluorine binding site 4 out of 14 in 6ttz

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Fluorine binding site 4 out of 14 in the Structure of the Clpp:ADEP4-Complex From Staphylococcus Aureus (Open State)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of the Clpp:ADEP4-Complex From Staphylococcus Aureus (Open State) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F901

b:37.8
occ:1.00
 F2 B:NWT901 0.0 37.8 1.0
C14 B:NWT901 1.0 38.0 1.0
C15 B:NWT901 2.1 38.9 1.0
C13 B:NWT901 2.1 37.5 1.0
C12 B:NWT901 3.3 37.8 1.0
C10 B:NWT901 3.3 39.4 1.0
CA A:THR80 3.5 32.8 1.0
CB A:HIS83 3.6 36.9 1.0
OG1 A:THR80 3.6 30.9 1.0
CD2 B:LEU115 3.6 37.0 1.0
CG A:HIS83 3.7 38.3 1.0
C11 B:NWT901 3.8 38.6 1.0
CD1 B:LEU115 3.8 39.9 1.0
CG2 A:THR80 3.9 30.3 1.0
CB A:THR80 3.9 31.9 1.0
ND1 A:HIS83 3.9 39.3 1.0
O A:ASP79 4.1 40.1 1.0
N A:THR80 4.2 33.5 1.0
F1 B:NWT901 4.2 35.7 1.0
CG B:LEU115 4.3 37.9 1.0
CD2 A:LEU49 4.4 32.4 1.0
C A:ASP79 4.4 36.1 1.0
C9 B:NWT901 4.4 41.0 1.0
CD2 A:HIS83 4.5 40.2 1.0
O A:THR80 4.5 33.2 1.0
C A:THR80 4.6 32.2 1.0
CE1 A:HIS83 4.7 41.6 1.0
NE2 A:HIS83 5.0 40.6 1.0
CA A:HIS83 5.0 37.9 1.0

Fluorine binding site 5 out of 14 in 6ttz

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Fluorine binding site 5 out of 14 in the Structure of the Clpp:ADEP4-Complex From Staphylococcus Aureus (Open State)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of the Clpp:ADEP4-Complex From Staphylococcus Aureus (Open State) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F901

b:42.9
occ:1.00
 F1 C:NWT901 0.0 42.9 1.0
C12 C:NWT901 1.0 39.6 1.0
C13 C:NWT901 2.0 39.4 1.0
C11 C:NWT901 2.0 36.8 1.0
C14 C:NWT901 3.2 39.1 1.0
C10 C:NWT901 3.2 35.8 1.0
CD1 B:LEU49 3.4 37.2 1.0
CG2 C:ILE93 3.5 45.3 1.0
C15 C:NWT901 3.6 37.5 1.0
CG1 B:VAL45 3.7 37.5 1.0
CE2 C:TYR63 3.7 31.4 1.0
CD2 C:TYR63 3.8 31.8 1.0
F2 C:NWT901 4.1 39.1 1.0
CD2 B:LEU49 4.2 39.0 1.0
CG B:LEU49 4.3 38.4 1.0
CZ C:TYR63 4.4 32.7 1.0
OG1 B:THR80 4.4 35.2 1.0
C9 C:NWT901 4.5 36.4 1.0
CG C:TYR63 4.5 32.6 1.0
CB C:ILE93 4.7 44.3 1.0
CG2 C:ILE91 4.8 39.3 1.0
CD1 C:ILE93 4.8 47.8 1.0
CD1 C:LEU115 4.9 40.2 1.0
OH C:TYR63 5.0 33.0 1.0
CG2 B:THR80 5.0 33.2 1.0

Fluorine binding site 6 out of 14 in 6ttz

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Fluorine binding site 6 out of 14 in the Structure of the Clpp:ADEP4-Complex From Staphylococcus Aureus (Open State)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structure of the Clpp:ADEP4-Complex From Staphylococcus Aureus (Open State) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F901

b:39.1
occ:1.00
 F2 C:NWT901 0.0 39.1 1.0
C14 C:NWT901 1.0 39.1 1.0
C13 C:NWT901 2.1 39.4 1.0
C15 C:NWT901 2.1 37.5 1.0
C12 C:NWT901 3.3 39.6 1.0
C10 C:NWT901 3.4 35.8 1.0
CD2 C:LEU115 3.5 38.8 1.0
CB B:HIS83 3.5 37.8 1.0
CA B:THR80 3.5 35.0 1.0
CG B:HIS83 3.6 39.4 1.0
ND1 B:HIS83 3.7 37.8 1.0
OG1 B:THR80 3.7 35.2 1.0
CD1 C:LEU115 3.7 40.2 1.0
C11 C:NWT901 3.8 36.8 1.0
CG2 B:THR80 3.9 33.2 1.0
CB B:THR80 3.9 34.7 1.0
O B:ASP79 4.0 36.4 1.0
F1 C:NWT901 4.1 42.9 1.0
N B:THR80 4.1 33.9 1.0
CG C:LEU115 4.2 38.7 1.0
C B:ASP79 4.3 35.6 1.0
CD2 B:LEU49 4.5 39.0 1.0
CD2 B:HIS83 4.5 40.4 1.0
C9 C:NWT901 4.5 36.4 1.0
O B:THR80 4.5 34.8 1.0
CE1 B:HIS83 4.5 38.2 1.0
C B:THR80 4.5 34.9 1.0
CA B:HIS83 4.9 38.5 1.0
NE2 B:HIS83 4.9 40.1 1.0

Fluorine binding site 7 out of 14 in 6ttz

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Fluorine binding site 7 out of 14 in the Structure of the Clpp:ADEP4-Complex From Staphylococcus Aureus (Open State)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Structure of the Clpp:ADEP4-Complex From Staphylococcus Aureus (Open State) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F901

b:37.1
occ:1.00
 F1 D:NWT901 0.0 37.1 1.0
C12 D:NWT901 1.0 37.2 1.0
C13 D:NWT901 2.0 36.5 1.0
C11 D:NWT901 2.1 35.8 1.0
C14 D:NWT901 3.2 36.9 1.0
C10 D:NWT901 3.3 35.1 1.0
CG2 D:ILE93 3.5 36.7 1.0
CD1 C:LEU49 3.5 36.1 1.0
CE2 D:TYR63 3.6 28.8 1.0
CD2 D:TYR63 3.6 27.6 1.0
CG1 C:VAL45 3.7 32.6 1.0
C15 D:NWT901 3.7 36.2 1.0
F2 D:NWT901 4.2 36.6 1.0
CZ D:TYR63 4.4 28.9 1.0
CG D:TYR63 4.5 27.3 1.0
CG C:LEU49 4.5 38.3 1.0
C9 D:NWT901 4.5 34.9 1.0
CD1 D:ILE93 4.5 24.5 1.0
CD2 C:LEU49 4.6 38.6 1.0
OG1 C:THR80 4.6 30.0 1.0
CB D:ILE93 4.7 37.0 1.0
CG1 D:ILE93 4.7 32.7 1.0
CG2 D:ILE91 4.8 30.5 1.0

Fluorine binding site 8 out of 14 in 6ttz

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Fluorine binding site 8 out of 14 in the Structure of the Clpp:ADEP4-Complex From Staphylococcus Aureus (Open State)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Structure of the Clpp:ADEP4-Complex From Staphylococcus Aureus (Open State) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F901

b:36.6
occ:1.00
 F2 D:NWT901 0.0 36.6 1.0
C14 D:NWT901 1.1 36.9 1.0
C13 D:NWT901 2.2 36.5 1.0
C15 D:NWT901 2.2 36.2 1.0
C12 D:NWT901 3.4 37.2 1.0
C10 D:NWT901 3.4 35.1 1.0
CA C:THR80 3.5 31.5 1.0
CB C:HIS83 3.5 38.2 1.0
OG1 C:THR80 3.7 30.0 1.0
CG C:HIS83 3.7 38.9 1.0
ND1 C:HIS83 3.7 38.3 1.0
CD1 D:LEU115 3.8 37.9 1.0
CG2 C:THR80 3.8 28.6 1.0
CB C:THR80 3.8 28.8 1.0
C11 D:NWT901 3.9 35.8 1.0
N C:THR80 4.1 33.6 1.0
O C:ASP79 4.1 34.8 1.0
F1 D:NWT901 4.2 37.1 1.0
CG D:LEU115 4.2 38.4 1.0
CD2 D:LEU115 4.3 39.0 1.0
CD2 C:LEU49 4.4 38.6 1.0
C C:ASP79 4.4 34.0 1.0
O C:THR80 4.4 33.0 1.0
C C:THR80 4.5 32.5 1.0
CD2 C:HIS83 4.5 38.7 1.0
CE1 C:HIS83 4.5 37.0 1.0
C9 D:NWT901 4.5 34.9 1.0
CA C:HIS83 4.9 38.9 1.0
NE2 C:HIS83 5.0 37.2 1.0

Fluorine binding site 9 out of 14 in 6ttz

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Fluorine binding site 9 out of 14 in the Structure of the Clpp:ADEP4-Complex From Staphylococcus Aureus (Open State)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Structure of the Clpp:ADEP4-Complex From Staphylococcus Aureus (Open State) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F901

b:35.4
occ:1.00
 F1 E:NWT901 0.0 35.4 1.0
C12 E:NWT901 1.2 33.0 1.0
C13 E:NWT901 2.2 32.5 1.0
C11 E:NWT901 2.2 30.9 1.0
CG2 E:ILE93 3.3 43.6 1.0
CD2 E:TYR63 3.4 32.6 1.0
C14 E:NWT901 3.5 31.8 1.0
C10 E:NWT901 3.5 30.5 1.0
CE2 E:TYR63 3.6 32.7 1.0
CD1 D:LEU49 3.6 32.2 1.0
CG1 D:VAL45 3.7 28.6 1.0
C15 E:NWT901 3.9 30.5 1.0
CG E:TYR63 4.0 31.1 1.0
CZ E:TYR63 4.2 31.3 1.0
F2 E:NWT901 4.3 33.0 1.0
CB E:ILE93 4.4 42.8 1.0
CG D:LEU49 4.6 32.8 1.0
CG1 E:ILE93 4.6 43.1 1.0
CD1 E:TYR63 4.6 31.4 1.0
C9 E:NWT901 4.7 31.7 1.0
CB E:TYR63 4.7 31.5 1.0
CD2 D:LEU49 4.7 33.2 1.0
CE1 E:TYR63 4.7 31.7 1.0
OG1 D:THR80 4.8 28.3 1.0
CG2 E:ILE91 4.8 33.4 1.0
OH E:TYR63 5.0 29.3 1.0
CD1 E:LEU115 5.0 36.1 1.0

Fluorine binding site 10 out of 14 in 6ttz

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Fluorine binding site 10 out of 14 in the Structure of the Clpp:ADEP4-Complex From Staphylococcus Aureus (Open State)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Structure of the Clpp:ADEP4-Complex From Staphylococcus Aureus (Open State) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F901

b:33.0
occ:1.00
 F2 E:NWT901 0.0 33.0 1.0
C14 E:NWT901 1.0 31.8 1.0
C13 E:NWT901 2.1 32.5 1.0
C15 E:NWT901 2.1 30.5 1.0
C12 E:NWT901 3.4 33.0 1.0
C10 E:NWT901 3.4 30.5 1.0
CB D:HIS83 3.4 37.2 1.0
CD2 E:LEU115 3.5 33.4 1.0
CA D:THR80 3.5 31.5 1.0
CG D:HIS83 3.6 39.0 1.0
CD1 E:LEU115 3.6 36.1 1.0
OG1 D:THR80 3.7 28.3 1.0
C11 E:NWT901 3.8 30.9 1.0
CD2 D:HIS83 3.9 39.4 1.0
CB D:THR80 3.9 29.2 1.0
CG2 D:THR80 4.0 28.6 1.0
O D:ASP79 4.0 36.8 1.0
N D:THR80 4.1 32.2 1.0
CG E:LEU115 4.2 34.2 1.0
ND1 D:HIS83 4.3 39.8 1.0
C D:ASP79 4.3 33.6 1.0
F1 E:NWT901 4.3 35.4 1.0
CD2 D:LEU49 4.5 33.2 1.0
C9 E:NWT901 4.5 31.7 1.0
O D:THR80 4.6 33.7 1.0
C D:THR80 4.6 31.8 1.0
NE2 D:HIS83 4.7 41.2 1.0
CA D:HIS83 4.9 37.9 1.0
CE1 D:HIS83 4.9 41.0 1.0

Reference:

I.T.Malik, R.Pereira, M.T.Vielberg, C.Mayer, J.Straetener, D.Thomy, K.Famulla, H.Castro, P.Sass, M.Groll, H.Brotz-Oesterhelt. Functional Characterisation of Clpp Mutations Conferring Resistance to Acyldepsipeptide Antibiotics in Firmicutes. Chembiochem 2020.
ISSN: ESSN 1439-7633
PubMed: 32181548
DOI: 10.1002/CBIC.201900787
Page generated: Fri Aug 2 02:10:18 2024

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