Fluorine in PDB 7p81: Crystal Structure of Clpp From Bacillus Subtilis in Complex with ADEP2 (Compact State)

All present enzymatic activity of Crystal Structure of Clpp From Bacillus Subtilis in Complex with ADEP2 (Compact State):
3.4.21.92;

The structure of Crystal Structure of Clpp From Bacillus Subtilis in Complex with ADEP2 (Compact State), PDB code: 7p81 was solved by B.-G.Lee, L.Kim, M.K.Kim, D.H.Kwon, H.K.Song, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.51 / 2.79
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	112.979, 173.075, 160.001, 90, 91.66, 90
R / Rfree (%)	23.5 / 29

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>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40;

Binding sites:

The binding sites of Fluorine atom in the Crystal Structure of Clpp From Bacillus Subtilis in Complex with ADEP2 (Compact State) (pdb code 7p81). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 40 binding sites of Fluorine where determined in the Crystal Structure of Clpp From Bacillus Subtilis in Complex with ADEP2 (Compact State), PDB code: 7p81:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 40 in the Crystal Structure of Clpp From Bacillus Subtilis in Complex with ADEP2 (Compact State)


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 Clpp From Bacillus Subtilis in Complex with ADEP2 (Compact State) within 5.0Å range: probe atom residue distance (Å) B Occ c:F2 b:40.5 occ:1.00 F1 c:WFP2 0.0 40.5 1.0 CE1 c:WFP2 1.4 35.1 1.0 CD1 c:WFP2 2.4 26.9 1.0 CZ c:WFP2 2.4 37.9 1.0 CD1 B:ILE92 2.8 39.0 1.0 CG1 A:VAL44 3.3 31.0 1.0 CG c:WFP2 3.6 39.5 1.0 CE2 c:WFP2 3.7 38.5 1.0 CD1 A:LEU48 3.7 32.3 1.0 CG1 B:ILE92 3.7 49.1 1.0 CG2 B:ILE92 3.8 44.9 1.0 CD2 B:TYR62 4.1 33.3 1.0 CD2 c:WFP2 4.1 38.6 1.0 CB B:ILE92 4.3 42.6 1.0 CE2 B:TYR62 4.4 27.8 1.0 OG1 A:THR79 4.6 31.7 1.0 CG B:TYR62 4.6 32.3 1.0 CG A:LEU48 4.7 37.9 1.0 CD1 B:LEU114 4.7 46.9 1.0 CB A:VAL44 4.7 32.8 1.0 F2 c:WFP2 4.8 39.9 1.0 CD2 A:LEU48 4.9 40.8 1.0 CB c:WFP2 4.9 40.8 1.0 CA B:ILE92 5.0 38.0 1.0

Fluorine binding site 2 out of 40 in the Crystal Structure of Clpp From Bacillus Subtilis in Complex with ADEP2 (Compact State)


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 Clpp From Bacillus Subtilis in Complex with ADEP2 (Compact State) within 5.0Å range: probe atom residue distance (Å) B Occ c:F2 b:39.9 occ:1.00 F2 c:WFP2 0.0 39.9 1.0 CE2 c:WFP2 1.4 38.5 1.0 CD2 c:WFP2 2.4 38.6 1.0 CZ c:WFP2 2.4 37.9 1.0 CB A:PHE82 3.0 36.5 1.0 CG A:PHE82 3.2 38.4 1.0 CD2 A:PHE82 3.4 33.7 1.0 CG c:WFP2 3.6 39.5 1.0 CA A:THR79 3.7 28.0 1.0 CE1 c:WFP2 3.7 35.1 1.0 CD2 B:LEU114 3.8 41.8 1.0 CD1 A:PHE82 3.9 40.8 1.0 CG2 A:THR79 4.1 33.9 1.0 OG1 A:THR79 4.1 31.7 1.0 CD1 B:LEU114 4.1 46.9 1.0 CD2 A:LEU48 4.1 40.8 1.0 O A:ASP78 4.2 31.4 1.0 CB A:THR79 4.2 34.4 1.0 CD1 c:WFP2 4.2 26.9 1.0 CE2 A:PHE82 4.3 43.1 1.0 N A:THR79 4.4 32.0 1.0 O A:THR79 4.4 28.1 1.0 CA A:PHE82 4.5 30.6 1.0 C A:ASP78 4.5 31.9 1.0 CG B:LEU114 4.6 46.0 1.0 C A:THR79 4.6 29.5 1.0 CE1 A:PHE82 4.7 30.8 1.0 CB c:WFP2 4.8 40.8 1.0 F1 c:WFP2 4.8 40.5 1.0 CA c:WFP2 4.8 43.7 1.0 CZ A:PHE82 4.9 43.0 1.0 N A:PHE82 5.0 35.8 1.0

Fluorine binding site 3 out of 40 in the Crystal Structure of Clpp From Bacillus Subtilis in Complex with ADEP2 (Compact State)


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 Clpp From Bacillus Subtilis in Complex with ADEP2 (Compact State) within 5.0Å range: probe atom residue distance (Å) B Occ d:F2 b:38.0 occ:1.00 F1 d:WFP2 0.0 38.0 1.0 CE1 d:WFP2 1.4 52.8 1.0 CD1 d:WFP2 2.4 52.7 1.0 CZ d:WFP2 2.4 49.9 1.0 CG2 C:ILE92 2.7 43.3 1.0 CB C:ILE92 3.5 37.5 1.0 CG1 B:VAL44 3.6 34.4 1.0 CG d:WFP2 3.7 50.4 1.0 CE2 d:WFP2 3.7 51.8 1.0 CD1 B:LEU48 3.9 38.3 1.0 CD2 C:TYR62 4.0 49.8 1.0 CD2 d:WFP2 4.2 47.9 1.0 CE2 C:TYR62 4.2 45.5 1.0 CG1 C:ILE92 4.3 42.5 1.0 CG C:TYR62 4.4 52.1 1.0 CD1 C:LEU114 4.6 49.6 1.0 CD1 C:ILE92 4.7 47.5 1.0 CA C:ILE92 4.8 37.5 1.0 CZ C:TYR62 4.8 53.0 1.0 F2 d:WFP2 4.8 59.7 1.0 OG1 B:THR79 4.8 33.0 1.0 CB C:TYR62 4.9 50.9 1.0 CD1 C:TYR62 4.9 45.3 1.0 CB d:WFP2 4.9 49.4 1.0 CB B:VAL44 5.0 33.4 1.0 CG B:LEU48 5.0 44.1 1.0

Fluorine binding site 4 out of 40 in the Crystal Structure of Clpp From Bacillus Subtilis in Complex with ADEP2 (Compact State)


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 Clpp From Bacillus Subtilis in Complex with ADEP2 (Compact State) within 5.0Å range: probe atom residue distance (Å) B Occ d:F2 b:59.7 occ:1.00 F2 d:WFP2 0.0 59.7 1.0 CE2 d:WFP2 1.4 51.8 1.0 CD2 d:WFP2 2.4 47.9 1.0 CZ d:WFP2 2.4 49.9 1.0 CB B:PHE82 3.3 45.4 1.0 CA B:THR79 3.5 39.2 1.0 CG B:PHE82 3.6 55.8 1.0 CG d:WFP2 3.6 50.4 1.0 CE1 d:WFP2 3.7 52.8 1.0 O B:ASP78 3.8 38.8 1.0 CD1 B:PHE82 3.9 53.6 1.0 CD2 C:LEU114 3.9 49.2 1.0 CD1 C:LEU114 3.9 49.6 1.0 N B:THR79 4.0 35.9 1.0 CG2 B:THR79 4.1 41.0 1.0 OG1 B:THR79 4.1 33.0 1.0 CB B:THR79 4.1 37.2 1.0 C B:ASP78 4.1 33.3 1.0 CD1 d:WFP2 4.2 52.7 1.0 O B:THR79 4.4 41.0 1.0 C B:THR79 4.4 39.2 1.0 CD2 B:PHE82 4.4 54.9 1.0 CG C:LEU114 4.6 49.8 1.0 CD2 B:LEU48 4.6 52.6 1.0 CA B:PHE82 4.7 39.4 1.0 F1 d:WFP2 4.8 38.0 1.0 CE1 B:PHE82 4.8 51.7 1.0 CB d:WFP2 4.9 49.4 1.0 N B:PHE82 5.0 49.9 1.0

Fluorine binding site 5 out of 40 in the Crystal Structure of Clpp From Bacillus Subtilis in Complex with ADEP2 (Compact State)


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 Clpp From Bacillus Subtilis in Complex with ADEP2 (Compact State) within 5.0Å range: probe atom residue distance (Å) B Occ e:F2 b:64.8 occ:1.00 F1 e:WFP2 0.0 64.8 1.0 CE1 e:WFP2 1.4 67.6 1.0 CD1 e:WFP2 2.4 66.9 1.0 CZ e:WFP2 2.4 66.7 1.0 CD1 D:LEU48 3.2 51.0 1.0 CG2 D:VAL44 3.2 55.3 1.0 CD1 E:ILE92 3.2 55.7 1.0 CG e:WFP2 3.7 62.8 1.0 CE2 e:WFP2 3.7 64.5 1.0 CD2 E:TYR62 3.7 68.4 1.0 CE2 E:TYR62 3.8 64.5 1.0 CG D:LEU48 4.1 63.7 1.0 CD2 D:LEU48 4.2 65.5 1.0 CG1 E:ILE92 4.2 53.0 1.0 CD2 e:WFP2 4.2 58.1 1.0 CG2 E:ILE92 4.5 61.0 1.0 CG E:TYR62 4.5 58.6 1.0 CZ E:TYR62 4.6 64.6 1.0 CB D:VAL44 4.7 57.4 1.0 F2 e:WFP2 4.8 60.8 1.0 CG2 D:THR79 4.9 55.6 1.0 CB e:WFP2 4.9 65.0 1.0 CB E:ILE92 5.0 52.3 1.0

Fluorine binding site 6 out of 40 in the Crystal Structure of Clpp From Bacillus Subtilis in Complex with ADEP2 (Compact State)


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 Clpp From Bacillus Subtilis in Complex with ADEP2 (Compact State) within 5.0Å range: probe atom residue distance (Å) B Occ e:F2 b:60.8 occ:1.00 F2 e:WFP2 0.0 60.8 1.0 CE2 e:WFP2 1.4 64.5 1.0 CZ e:WFP2 2.4 66.7 1.0 CD2 e:WFP2 2.4 58.1 1.0 CB D:PHE82 3.0 57.2 1.0 CA D:THR79 3.3 67.9 1.0 CG D:PHE82 3.4 58.6 1.0 CD2 E:LEU114 3.6 53.0 1.0 CG e:WFP2 3.7 62.8 1.0 O D:ASP78 3.7 69.4 1.0 CE1 e:WFP2 3.7 67.6 1.0 O D:THR79 3.8 55.0 1.0 CD1 D:PHE82 3.8 55.5 1.0 CG2 D:THR79 3.9 55.6 1.0 N D:THR79 4.1 61.2 1.0 C D:THR79 4.1 63.9 1.0 CB D:THR79 4.1 64.8 1.0 CD2 D:PHE82 4.1 63.5 1.0 C D:ASP78 4.1 65.5 1.0 CD1 E:LEU114 4.2 61.5 1.0 CD1 e:WFP2 4.2 66.9 1.0 OG1 D:THR79 4.3 52.4 1.0 CA D:PHE82 4.4 54.2 1.0 CG E:LEU114 4.5 63.8 1.0 CD2 D:LEU48 4.6 65.5 1.0 N D:PHE82 4.7 66.6 1.0 F1 e:WFP2 4.8 64.8 1.0 CE1 D:PHE82 4.8 58.2 1.0 CB e:WFP2 5.0 65.0 1.0

Fluorine binding site 7 out of 40 in the Crystal Structure of Clpp From Bacillus Subtilis in Complex with ADEP2 (Compact State)


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 Clpp From Bacillus Subtilis in Complex with ADEP2 (Compact State) within 5.0Å range: probe atom residue distance (Å) B Occ f:F2 b:51.2 occ:1.00 F1 f:WFP2 0.0 51.2 1.0 CE1 f:WFP2 1.4 43.8 1.0 CD1 f:WFP2 2.4 43.8 1.0 CZ f:WFP2 2.4 47.7 1.0 CG1 F:ILE92 2.9 45.9 1.0 CD1 F:ILE92 3.3 56.2 1.0 CD2 F:TYR62 3.6 54.5 1.0 CG f:WFP2 3.6 45.6 1.0 CE2 f:WFP2 3.6 49.8 1.0 CE2 F:TYR62 3.9 49.7 1.0 CG1 E:VAL44 3.9 42.9 1.0 CD2 f:WFP2 4.1 47.0 1.0 CG F:TYR62 4.2 50.8 1.0 CB F:ILE92 4.2 43.2 1.0 CG2 F:ILE92 4.5 51.7 1.0 CZ F:TYR62 4.7 55.3 1.0 CB F:TYR62 4.7 41.3 1.0 CD2 E:LEU48 4.7 55.4 1.0 F2 f:WFP2 4.8 53.5 1.0 CA F:ILE92 4.8 38.7 1.0 CG2 F:ILE90 4.8 45.8 1.0 CD1 F:LEU114 4.9 49.3 1.0 CB f:WFP2 4.9 44.4 1.0 CD1 F:TYR62 5.0 50.9 1.0

Fluorine binding site 8 out of 40 in the Crystal Structure of Clpp From Bacillus Subtilis in Complex with ADEP2 (Compact State)


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 Clpp From Bacillus Subtilis in Complex with ADEP2 (Compact State) within 5.0Å range: probe atom residue distance (Å) B Occ f:F2 b:53.5 occ:1.00 F2 f:WFP2 0.0 53.5 1.0 CE2 f:WFP2 1.4 49.8 1.0 CD2 f:WFP2 2.4 47.0 1.0 CZ f:WFP2 2.4 47.7 1.0 CB E:PHE82 3.2 50.1 1.0 CA E:THR79 3.3 54.6 1.0 CG E:PHE82 3.4 43.5 1.0 CG2 E:THR79 3.6 42.4 1.0 CG f:WFP2 3.6 45.6 1.0 CE1 f:WFP2 3.7 43.8 1.0 OG1 E:THR79 3.8 42.5 1.0 CD2 E:PHE82 3.8 44.8 1.0 CB E:THR79 3.8 48.2 1.0 O E:ASP78 3.8 39.1 1.0 CD2 F:LEU114 3.9 40.3 1.0 N E:THR79 4.0 56.0 1.0 CD1 F:LEU114 4.0 49.3 1.0 CD1 E:PHE82 4.1 40.4 1.0 CD1 f:WFP2 4.2 43.8 1.0 C E:ASP78 4.2 47.4 1.0 C E:THR79 4.4 49.8 1.0 O E:THR79 4.4 44.4 1.0 CG F:LEU114 4.6 40.5 1.0 CE2 E:PHE82 4.6 50.1 1.0 CA E:PHE82 4.7 49.1 1.0 F1 f:WFP2 4.8 51.2 1.0 CB f:WFP2 4.9 44.4 1.0 CD2 E:LEU48 4.9 55.4 1.0 CE1 E:PHE82 4.9 42.9 1.0

Fluorine binding site 9 out of 40 in the Crystal Structure of Clpp From Bacillus Subtilis in Complex with ADEP2 (Compact State)


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 Clpp From Bacillus Subtilis in Complex with ADEP2 (Compact State) within 5.0Å range: probe atom residue distance (Å) B Occ g:F2 b:35.3 occ:1.00 F1 g:WFP2 0.0 35.3 1.0 CE1 g:WFP2 1.4 32.8 1.0 CZ g:WFP2 2.4 34.9 1.0 CD1 g:WFP2 2.4 31.1 1.0 CG1 G:ILE92 3.1 41.4 1.0 CD1 G:ILE92 3.2 45.3 1.0 CD2 G:TYR62 3.5 33.1 1.0 CE2 g:WFP2 3.6 37.5 1.0 CG g:WFP2 3.6 38.6 1.0 CE2 G:TYR62 3.7 29.5 1.0 CD1 F:LEU48 3.7 30.1 1.0 CG1 F:VAL44 3.8 27.1 1.0 CD2 g:WFP2 4.1 34.8 1.0 CG G:TYR62 4.1 33.6 1.0 CZ G:TYR62 4.4 35.9 1.0 CB G:ILE92 4.5 35.3 1.0 CB G:TYR62 4.7 32.2 1.0 CD1 G:TYR62 4.8 31.5 1.0 F2 g:WFP2 4.8 44.5 1.0 CG2 G:ILE92 4.8 46.0 1.0 CD1 G:LEU114 4.9 44.7 1.0 CG F:LEU48 4.9 36.3 1.0 CE1 G:TYR62 4.9 31.4 1.0 CB g:WFP2 4.9 44.6 1.0 CA G:ILE92 5.0 27.4 1.0

Fluorine binding site 10 out of 40 in the Crystal Structure of Clpp From Bacillus Subtilis in Complex with ADEP2 (Compact State)


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 Clpp From Bacillus Subtilis in Complex with ADEP2 (Compact State) within 5.0Å range: probe atom residue distance (Å) B Occ g:F2 b:44.5 occ:1.00 F2 g:WFP2 0.0 44.5 1.0 CE2 g:WFP2 1.4 37.5 1.0 CD2 g:WFP2 2.4 34.8 1.0 CZ g:WFP2 2.4 34.9 1.0 CB F:PHE82 3.3 35.9 1.0 CA F:THR79 3.4 38.0 1.0 CG F:PHE82 3.5 30.3 1.0 CG g:WFP2 3.6 38.6 1.0 CE1 g:WFP2 3.7 32.8 1.0 CD2 G:LEU114 3.7 26.9 1.0 CD1 F:PHE82 3.7 30.2 1.0 CG2 F:THR79 3.8 24.3 1.0 OG1 F:THR79 3.8 32.4 1.0 CB F:THR79 3.9 30.5 1.0 CD1 G:LEU114 3.9 44.7 1.0 O F:ASP78 4.0 36.3 1.0 N F:THR79 4.0 37.6 1.0 CD1 g:WFP2 4.1 31.1 1.0 C F:ASP78 4.2 37.0 1.0 O F:THR79 4.3 33.3 1.0 CD2 F:PHE82 4.3 39.7 1.0 C F:THR79 4.4 39.6 1.0 CD2 F:LEU48 4.4 40.7 1.0 CG G:LEU114 4.4 31.6 1.0 CE1 F:PHE82 4.6 34.6 1.0 CA F:PHE82 4.7 32.0 1.0 F1 g:WFP2 4.8 35.3 1.0 CB g:WFP2 4.9 44.6 1.0 N F:PHE82 5.0 37.9 1.0

L.Kim, B.G.Lee, M.Kim, M.K.Kim, D.H.Kwon, H.Kim, H.Brotz-Oesterhelt, S.H.Roh, H.K.Song. Structural Insights Into Clpp Protease Side Exit Pore-Opening By A pH Drop Coupled with Substrate Hydrolysis. Embo J. V. 41 09755 2022.
ISSN: ESSN 1460-2075
PubMed: 35593068
DOI: 10.15252/EMBJ.2021109755