Atomistry » Fluorine » PDB 3kqn-3l8s » 3ktj
Atomistry »
  Fluorine »
    PDB 3kqn-3l8s »
      3ktj »

Fluorine in PDB 3ktj: Structure of Clpp in Complex with ADEP2 in Monoclinic Crystal Form

Enzymatic activity of Structure of Clpp in Complex with ADEP2 in Monoclinic Crystal Form

All present enzymatic activity of Structure of Clpp in Complex with ADEP2 in Monoclinic Crystal Form:
3.4.21.92;

Protein crystallography data

The structure of Structure of Clpp in Complex with ADEP2 in Monoclinic Crystal Form, PDB code: 3ktj was solved by B.-G.Lee, H.Brotz-Oesterhelt, H.K.Song, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.60
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 121.426, 152.244, 100.376, 90.00, 118.98, 90.00
R / Rfree (%) 22.6 / 29.6

Fluorine Binding Sites:

Pages:

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

Binding sites:

The binding sites of Fluorine atom in the Structure of Clpp in Complex with ADEP2 in Monoclinic Crystal Form (pdb code 3ktj). 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 Clpp in Complex with ADEP2 in Monoclinic Crystal Form, PDB code: 3ktj:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 14 in 3ktj

Go back to Fluorine Binding Sites List in 3ktj
Fluorine binding site 1 out of 14 in the Structure of Clpp in Complex with ADEP2 in Monoclinic Crystal Form


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 in Complex with ADEP2 in Monoclinic Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
H:F2

b:34.0
occ:1.00
F1 H:WFP2 0.0 34.0 1.0
CE1 H:WFP2 1.3 33.1 1.0
CD1 H:WFP2 2.4 32.9 1.0
CZ H:WFP2 2.5 32.3 1.0
CD1 B:ILE92 3.4 31.4 1.0
CG1 A:VAL44 3.6 27.5 1.0
CG H:WFP2 3.8 32.6 1.0
CE2 H:WFP2 3.8 31.4 1.0
CD2 B:TYR62 3.8 31.4 1.0
CE2 B:TYR62 4.1 31.9 1.0
CD1 A:LEU48 4.1 31.7 1.0
CG2 B:ILE92 4.1 26.7 1.0
CB B:ILE92 4.2 28.1 1.0
CG B:TYR62 4.3 30.1 1.0
CD2 H:WFP2 4.3 32.0 1.0
CG1 B:ILE92 4.4 30.7 1.0
CG2 B:ILE90 4.6 25.1 1.0
CZ B:TYR62 4.7 32.5 1.0
CB B:TYR62 4.7 27.5 1.0
CD1 B:LEU114 4.7 25.8 1.0
CD1 B:TYR62 4.8 29.9 1.0
OG1 A:THR79 4.9 23.6 1.0
F2 H:WFP2 4.9 31.5 1.0
CB A:VAL44 5.0 28.4 1.0

Fluorine binding site 2 out of 14 in 3ktj

Go back to Fluorine Binding Sites List in 3ktj
Fluorine binding site 2 out of 14 in the Structure of Clpp in Complex with ADEP2 in Monoclinic Crystal Form


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 in Complex with ADEP2 in Monoclinic Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
H:F2

b:31.5
occ:1.00
F2 H:WFP2 0.0 31.5 1.0
CE2 H:WFP2 1.3 31.4 1.0
CZ H:WFP2 2.4 32.3 1.0
CD2 H:WFP2 2.4 32.0 1.0
CB A:PHE82 3.3 27.6 1.0
CG A:PHE82 3.4 28.4 1.0
CA A:THR79 3.6 29.1 1.0
OG1 A:THR79 3.7 23.6 1.0
CD2 B:LEU114 3.7 23.2 1.0
CD2 A:PHE82 3.7 29.1 1.0
CE1 H:WFP2 3.8 33.1 1.0
CG H:WFP2 3.8 32.6 1.0
CD1 B:LEU114 3.8 25.8 1.0
CG2 A:THR79 3.8 27.9 1.0
CB A:THR79 3.9 28.2 1.0
O A:ASP78 4.0 27.3 1.0
CD1 A:PHE82 4.2 29.2 1.0
N A:THR79 4.3 29.2 1.0
CD1 H:WFP2 4.3 32.9 1.0
CG B:LEU114 4.4 25.8 1.0
C A:ASP78 4.4 28.6 1.0
O A:THR79 4.5 29.6 1.0
C A:THR79 4.5 30.4 1.0
CE2 A:PHE82 4.6 28.8 1.0
CA A:PHE82 4.7 28.4 1.0
CD2 A:LEU48 4.7 33.6 1.0
F1 H:WFP2 4.9 34.0 1.0
CE1 A:PHE82 5.0 29.7 1.0

Fluorine binding site 3 out of 14 in 3ktj

Go back to Fluorine Binding Sites List in 3ktj
Fluorine binding site 3 out of 14 in the Structure of Clpp in Complex with ADEP2 in Monoclinic Crystal Form


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 in Complex with ADEP2 in Monoclinic Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F2

b:25.7
occ:1.00
F1 I:WFP2 0.0 25.7 1.0
CE1 I:WFP2 1.3 24.7 1.0
CD1 I:WFP2 2.4 25.2 1.0
CZ I:WFP2 2.5 24.0 1.0
CD1 A:ILE92 3.2 26.3 1.0
CG1 G:VAL44 3.6 30.7 1.0
CG1 A:ILE92 3.7 25.2 1.0
CG I:WFP2 3.8 25.9 1.0
CE2 I:WFP2 3.8 24.9 1.0
CD2 A:TYR62 3.9 30.8 1.0
CE2 A:TYR62 4.0 30.9 1.0
CD1 G:LEU48 4.1 36.2 1.0
CB A:ILE92 4.1 21.5 1.0
CD2 I:WFP2 4.3 25.4 1.0
CG A:TYR62 4.5 29.1 1.0
CD1 A:LEU114 4.6 26.4 1.0
CG2 A:ILE92 4.7 20.8 1.0
CZ A:TYR62 4.7 32.1 1.0
CG2 A:ILE90 4.8 22.6 1.0
F2 I:WFP2 4.9 23.4 1.0
OG1 G:THR79 4.9 31.2 1.0
CB G:VAL44 5.0 32.0 1.0

Fluorine binding site 4 out of 14 in 3ktj

Go back to Fluorine Binding Sites List in 3ktj
Fluorine binding site 4 out of 14 in the Structure of Clpp in Complex with ADEP2 in Monoclinic Crystal Form


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 in Complex with ADEP2 in Monoclinic Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F2

b:23.4
occ:1.00
F2 I:WFP2 0.0 23.4 1.0
CE2 I:WFP2 1.3 24.9 1.0
CZ I:WFP2 2.4 24.0 1.0
CD2 I:WFP2 2.5 25.4 1.0
CB G:PHE82 3.3 26.1 1.0
CA G:THR79 3.4 30.6 1.0
CG2 G:THR79 3.5 29.9 1.0
CG G:PHE82 3.6 24.4 1.0
OG1 G:THR79 3.7 31.2 1.0
CB G:THR79 3.7 31.3 1.0
O G:ASP78 3.7 27.6 1.0
CE1 I:WFP2 3.8 24.7 1.0
CD2 A:LEU114 3.8 23.4 1.0
CG I:WFP2 3.8 25.9 1.0
CD1 A:LEU114 3.9 26.4 1.0
CD2 G:PHE82 3.9 24.2 1.0
N G:THR79 4.1 29.8 1.0
C G:ASP78 4.2 28.3 1.0
CD1 I:WFP2 4.3 25.2 1.0
CD1 G:PHE82 4.5 24.4 1.0
C G:THR79 4.5 31.4 1.0
CG A:LEU114 4.5 25.1 1.0
O G:THR79 4.6 29.7 1.0
CA G:PHE82 4.7 29.6 1.0
CD2 G:LEU48 4.8 36.3 1.0
F1 I:WFP2 4.9 25.7 1.0
CE2 G:PHE82 4.9 23.8 1.0
N G:PHE82 5.0 31.9 1.0

Fluorine binding site 5 out of 14 in 3ktj

Go back to Fluorine Binding Sites List in 3ktj
Fluorine binding site 5 out of 14 in the Structure of Clpp in Complex with ADEP2 in Monoclinic Crystal Form


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 in Complex with ADEP2 in Monoclinic Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
J:F2

b:29.3
occ:1.00
F1 J:WFP2 0.0 29.3 1.0
CE1 J:WFP2 1.3 26.9 1.0
CZ J:WFP2 2.4 26.2 1.0
CD1 J:WFP2 2.5 27.8 1.0
CG1 E:VAL44 3.3 26.1 1.0
CD1 F:ILE92 3.5 27.2 1.0
CE2 J:WFP2 3.7 25.3 1.0
CG J:WFP2 3.8 27.4 1.0
CD2 F:TYR62 3.8 24.1 1.0
CD1 E:LEU48 3.9 33.9 1.0
CE2 F:TYR62 4.0 25.9 1.0
CG2 F:ILE92 4.1 21.5 1.0
CD2 J:WFP2 4.3 26.6 1.0
CB F:ILE92 4.3 22.0 1.0
CG1 F:ILE92 4.5 24.4 1.0
OG1 E:THR79 4.6 22.2 1.0
CB E:VAL44 4.7 26.8 1.0
F2 J:WFP2 4.8 27.7 1.0
CG F:TYR62 4.8 22.5 1.0
CG E:LEU48 4.9 35.7 1.0
CD1 F:LEU114 4.9 25.6 1.0

Fluorine binding site 6 out of 14 in 3ktj

Go back to Fluorine Binding Sites List in 3ktj
Fluorine binding site 6 out of 14 in the Structure of Clpp in Complex with ADEP2 in Monoclinic Crystal Form


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 in Complex with ADEP2 in Monoclinic Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
J:F2

b:27.7
occ:1.00
F2 J:WFP2 0.0 27.7 1.0
CE2 J:WFP2 1.3 25.3 1.0
CZ J:WFP2 2.4 26.2 1.0
CD2 J:WFP2 2.5 26.6 1.0
CB E:PHE82 3.1 27.8 1.0
CG E:PHE82 3.3 25.1 1.0
CA E:THR79 3.3 24.8 1.0
CD2 E:PHE82 3.5 24.2 1.0
CG2 E:THR79 3.6 23.4 1.0
CE1 J:WFP2 3.7 26.9 1.0
CD2 F:LEU114 3.7 25.1 1.0
CB E:THR79 3.8 23.7 1.0
CG J:WFP2 3.8 27.4 1.0
OG1 E:THR79 3.9 22.2 1.0
CD1 F:LEU114 3.9 25.6 1.0
O E:ASP78 4.0 24.0 1.0
CD1 E:PHE82 4.1 23.2 1.0
N E:THR79 4.1 25.5 1.0
O E:THR79 4.1 25.9 1.0
C E:THR79 4.2 26.1 1.0
CD1 J:WFP2 4.3 27.8 1.0
C E:ASP78 4.3 26.2 1.0
CE2 E:PHE82 4.4 23.7 1.0
CG F:LEU114 4.4 27.2 1.0
CD2 E:LEU48 4.5 33.0 1.0
CA E:PHE82 4.5 30.3 1.0
F1 J:WFP2 4.8 29.3 1.0
CE1 E:PHE82 4.9 23.5 1.0
N E:PHE82 5.0 30.4 1.0

Fluorine binding site 7 out of 14 in 3ktj

Go back to Fluorine Binding Sites List in 3ktj
Fluorine binding site 7 out of 14 in the Structure of Clpp in Complex with ADEP2 in Monoclinic Crystal Form


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 in Complex with ADEP2 in Monoclinic Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
K:F2

b:47.5
occ:1.00
F1 K:WFP2 0.0 47.5 1.0
CE1 K:WFP2 1.3 45.2 1.0
CZ K:WFP2 2.4 44.9 1.0
CD1 K:WFP2 2.4 45.4 1.0
CD1 C:ILE92 3.1 31.4 1.0
CB C:ILE92 3.5 29.7 1.0
CG1 C:ILE92 3.7 30.8 1.0
CE2 K:WFP2 3.7 44.8 1.0
CG K:WFP2 3.8 45.5 1.0
CG1 B:VAL44 3.8 30.6 1.0
CG2 C:ILE92 4.0 28.2 1.0
CG C:TYR62 4.1 33.5 1.0
CD2 C:TYR62 4.2 34.4 1.0
CD2 K:WFP2 4.3 45.8 1.0
CD1 C:TYR62 4.3 32.0 1.0
CD1 B:LEU48 4.4 27.7 1.0
CG2 C:ILE90 4.4 27.1 1.0
CE2 C:TYR62 4.5 35.0 1.0
CB C:TYR62 4.5 32.5 1.0
CE1 C:TYR62 4.6 33.2 1.0
CZ C:TYR62 4.7 33.9 1.0
CD1 C:LEU114 4.8 31.1 1.0
F2 K:WFP2 4.8 44.0 1.0
CA C:ILE92 4.9 30.6 1.0

Fluorine binding site 8 out of 14 in 3ktj

Go back to Fluorine Binding Sites List in 3ktj
Fluorine binding site 8 out of 14 in the Structure of Clpp in Complex with ADEP2 in Monoclinic Crystal Form


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 in Complex with ADEP2 in Monoclinic Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
K:F2

b:44.0
occ:1.00
F2 K:WFP2 0.0 44.0 1.0
CE2 K:WFP2 1.3 44.8 1.0
CZ K:WFP2 2.4 44.9 1.0
CD2 K:WFP2 2.5 45.8 1.0
CA B:THR79 3.4 27.3 1.0
CB B:PHE82 3.4 27.6 1.0
OG1 B:THR79 3.5 22.2 1.0
CG2 B:THR79 3.6 25.5 1.0
CG B:PHE82 3.7 26.3 1.0
CB B:THR79 3.7 25.8 1.0
CE1 K:WFP2 3.7 45.2 1.0
CG K:WFP2 3.8 45.5 1.0
CD1 C:LEU114 4.0 31.1 1.0
CD2 B:PHE82 4.1 23.2 1.0
O B:ASP78 4.1 21.9 1.0
N B:THR79 4.2 24.7 1.0
O B:THR79 4.3 29.7 1.0
CD1 K:WFP2 4.3 45.4 1.0
CD1 B:PHE82 4.3 24.5 1.0
C B:THR79 4.4 29.4 1.0
C B:ASP78 4.4 22.9 1.0
CD2 B:LEU48 4.4 26.4 1.0
CD2 C:LEU114 4.6 29.1 1.0
CA B:PHE82 4.8 28.6 1.0
F1 K:WFP2 4.8 47.5 1.0
CE2 B:PHE82 5.0 23.5 1.0
CG C:LEU114 5.0 31.3 1.0

Fluorine binding site 9 out of 14 in 3ktj

Go back to Fluorine Binding Sites List in 3ktj
Fluorine binding site 9 out of 14 in the Structure of Clpp in Complex with ADEP2 in Monoclinic Crystal Form


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 in Complex with ADEP2 in Monoclinic Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
L:F2

b:41.7
occ:1.00
F1 L:WFP2 0.0 41.7 1.0
CE1 L:WFP2 1.3 40.9 1.0
CZ L:WFP2 2.4 41.4 1.0
CD1 L:WFP2 2.4 41.1 1.0
CD1 D:ILE92 3.3 35.7 1.0
CD2 D:TYR62 3.4 29.9 1.0
CE2 D:TYR62 3.6 30.8 1.0
CG1 C:VAL44 3.6 30.9 1.0
CE2 L:WFP2 3.8 40.7 1.0
CG L:WFP2 3.8 40.7 1.0
CD1 C:LEU48 4.1 34.4 1.0
CD2 L:WFP2 4.3 41.3 1.0
CB D:ILE92 4.3 30.3 1.0
CG1 D:ILE92 4.3 32.3 1.0
CG D:TYR62 4.5 28.4 1.0
CG2 D:ILE92 4.5 28.5 1.0
CG2 D:ILE90 4.7 26.7 1.0
CZ D:TYR62 4.7 30.5 1.0
CD1 D:LEU114 4.7 25.6 1.0
OG1 C:THR79 4.8 24.3 1.0
F2 L:WFP2 4.8 39.6 1.0

Fluorine binding site 10 out of 14 in 3ktj

Go back to Fluorine Binding Sites List in 3ktj
Fluorine binding site 10 out of 14 in the Structure of Clpp in Complex with ADEP2 in Monoclinic Crystal Form


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 in Complex with ADEP2 in Monoclinic Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
L:F2

b:39.6
occ:1.00
F2 L:WFP2 0.0 39.6 1.0
CE2 L:WFP2 1.3 40.7 1.0
CZ L:WFP2 2.4 41.4 1.0
CD2 L:WFP2 2.5 41.3 1.0
CB C:PHE82 3.2 34.8 1.0
CA C:THR79 3.4 29.3 1.0
CG C:PHE82 3.6 33.8 1.0
CE1 L:WFP2 3.8 40.9 1.0
CD2 D:LEU114 3.8 25.7 1.0
OG1 C:THR79 3.8 24.3 1.0
O C:ASP78 3.8 29.8 1.0
CG L:WFP2 3.8 40.7 1.0
CD1 D:LEU114 3.8 25.6 1.0
CB C:THR79 3.9 27.2 1.0
CG2 C:THR79 3.9 25.5 1.0
CD2 C:PHE82 3.9 33.7 1.0
N C:THR79 4.0 28.3 1.0
C C:ASP78 4.2 28.8 1.0
CD1 C:PHE82 4.3 32.9 1.0
CD1 L:WFP2 4.3 41.1 1.0
C C:THR79 4.4 30.9 1.0
O C:THR79 4.4 28.6 1.0
CG D:LEU114 4.4 27.0 1.0
CA C:PHE82 4.6 35.2 1.0
F1 L:WFP2 4.8 41.7 1.0
CE2 C:PHE82 4.9 34.9 1.0
N C:PHE82 4.9 34.9 1.0
CD2 C:LEU48 4.9 33.9 1.0

Reference:

B.-G.Lee, E.Y.Park, K.-E.Lee, H.Jeon, K.H.Sung, H.Paulsen, H.Rubsamen-Schaeff, H.Brotz-Oesterhelt, H.K.Song. Structures of Clpp in Complex with Acyldepsipeptide Antibiotics Reveal Its Activation Mechanism Nat.Struct.Mol.Biol. V. 17 471 2010.
ISSN: ISSN 1545-9993
PubMed: 20305655
DOI: 10.1038/NSMB.1787
Page generated: Sun Dec 13 11:49:44 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy