Atomistry » Fluorine » PDB 6taw-6tuf » 6ttz
Atomistry »
  Fluorine »
    PDB 6taw-6tuf »
      6ttz »

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

Go back to Fluorine Binding Sites List in 6ttz
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

Go back to Fluorine Binding Sites List in 6ttz
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

Go back to Fluorine Binding Sites List in 6ttz
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

Go back to Fluorine Binding Sites List in 6ttz
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

Go back to Fluorine Binding Sites List in 6ttz
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

Go back to Fluorine Binding Sites List in 6ttz
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

Go back to Fluorine Binding Sites List in 6ttz
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

Go back to Fluorine Binding Sites List in 6ttz
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

Go back to Fluorine Binding Sites List in 6ttz
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

Go back to Fluorine Binding Sites List in 6ttz
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

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy