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Fluorine in PDB 7p80: Crystal Structure of Clpp From Bacillus Subtilis in Complex with ADEP2 (Compressed State)

Enzymatic activity of Crystal Structure of Clpp From Bacillus Subtilis in Complex with ADEP2 (Compressed State)

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

Protein crystallography data

The structure of Crystal Structure of Clpp From Bacillus Subtilis in Complex with ADEP2 (Compressed State), PDB code: 7p80 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) 29.59 / 2.98
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 108.617, 172.087, 84.137, 90, 118.39, 90
R / Rfree (%) 22.9 / 27.9

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Clpp From Bacillus Subtilis in Complex with ADEP2 (Compressed State) (pdb code 7p80). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Clpp From Bacillus Subtilis in Complex with ADEP2 (Compressed State), PDB code: 7p80:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 7p80

Go back to Fluorine Binding Sites List in 7p80
Fluorine binding site 1 out of 4 in the Crystal Structure of Clpp From Bacillus Subtilis in Complex with ADEP2 (Compressed 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 (Compressed State) within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F2

b:58.8
occ:1.00
 F1 I:WFP2 0.0 58.8 1.0
CE1 I:WFP2 1.4 51.5 1.0
CD1 I:WFP2 2.4 54.5 1.0
CZ I:WFP2 2.4 67.3 1.0
CD1 B:ILE92 2.9 58.5 1.0
CD1 C:LEU48 3.1 67.8 1.0
CG1 C:VAL44 3.5 66.5 1.0
CG I:WFP2 3.6 62.8 1.0
CE2 I:WFP2 3.6 71.7 1.0
CD2 C:LEU48 3.9 72.6 1.0
CG C:LEU48 3.9 69.3 1.0
CE2 B:TYR62 4.1 71.5 1.0
CG1 B:ILE92 4.1 48.4 1.0
CD2 B:TYR62 4.1 70.2 1.0
CD2 I:WFP2 4.1 70.1 1.0
OG1 C:THR79 4.3 59.2 1.0
CG2 B:ILE92 4.4 70.4 1.0
F2 I:WFP2 4.8 71.5 1.0
CD1 B:LEU114 4.8 50.9 1.0
CB B:ILE92 4.9 52.6 1.0
CB I:WFP2 4.9 61.6 1.0
CB C:VAL44 4.9 63.0 1.0
CZ B:TYR62 5.0 65.4 1.0

Fluorine binding site 2 out of 4 in 7p80

Go back to Fluorine Binding Sites List in 7p80
Fluorine binding site 2 out of 4 in the Crystal Structure of Clpp From Bacillus Subtilis in Complex with ADEP2 (Compressed 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 (Compressed State) within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F2

b:71.5
occ:1.00
 F2 I:WFP2 0.0 71.5 1.0
CE2 I:WFP2 1.4 71.7 1.0
CZ I:WFP2 2.4 67.3 1.0
CD2 I:WFP2 2.4 70.1 1.0
CB C:PHE82 2.8 72.7 1.0
CG C:PHE82 3.2 73.8 1.0
CA C:THR79 3.4 60.5 1.0
CG I:WFP2 3.6 62.8 1.0
CE1 I:WFP2 3.6 51.5 1.0
O C:ASP78 3.7 49.2 1.0
CD2 B:LEU114 3.8 48.4 1.0
CD2 C:PHE82 3.8 81.0 1.0
CD1 C:PHE82 3.8 64.7 1.0
N C:THR79 4.0 61.1 1.0
CD1 B:LEU114 4.0 50.9 1.0
C C:ASP78 4.1 59.0 1.0
O C:THR79 4.1 60.5 1.0
OG1 C:THR79 4.1 59.2 1.0
CD1 I:WFP2 4.1 54.5 1.0
CB C:THR79 4.2 69.7 1.0
CA C:PHE82 4.2 66.0 1.0
C C:THR79 4.2 59.5 1.0
CG2 C:THR79 4.4 74.8 1.0
N C:PHE82 4.5 73.7 1.0
CG B:LEU114 4.5 48.2 1.0
CE2 C:PHE82 4.7 69.3 1.0
CE1 C:PHE82 4.7 56.4 1.0
F1 I:WFP2 4.8 58.8 1.0
CD2 C:LEU48 4.9 72.6 1.0
CB I:WFP2 4.9 61.6 1.0
C C:PHE82 4.9 65.1 1.0
N C:ILE83 5.0 70.4 1.0

Fluorine binding site 3 out of 4 in 7p80

Go back to Fluorine Binding Sites List in 7p80
Fluorine binding site 3 out of 4 in the Crystal Structure of Clpp From Bacillus Subtilis in Complex with ADEP2 (Compressed 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 (Compressed State) within 5.0Å range:
probe atom residue distance (Å) B Occ
J:F2

b:83.1
occ:1.00
 F1 J:WFP2 0.0 83.1 1.0
CE1 J:WFP2 1.4 76.0 1.0
CD1 J:WFP2 2.4 77.8 1.0
CZ J:WFP2 2.4 81.7 1.0
CD1 G:LEU48 2.6 70.1 1.0
CD2 G:LEU48 3.2 73.2 1.0
CG G:LEU48 3.3 66.2 1.0
CD1 F:ILE92 3.6 74.4 1.0
CG1 G:VAL44 3.6 58.5 1.0
CE2 J:WFP2 3.6 77.7 1.0
CG J:WFP2 3.7 81.7 1.0
CE2 F:TYR62 3.8 90.9 1.0
CD2 F:TYR62 4.1 76.2 1.0
CD2 J:WFP2 4.1 77.7 1.0
CG2 G:THR79 4.2 65.0 1.0
CG1 F:ILE92 4.6 62.0 1.0
CB G:LEU48 4.7 69.3 1.0
CZ F:TYR62 4.7 86.4 1.0
F2 J:WFP2 4.8 85.7 1.0
N J:WFP2 4.8 78.5 1.0
OG1 G:THR79 4.8 59.1 1.0
CB J:WFP2 4.9 68.0 1.0

Fluorine binding site 4 out of 4 in 7p80

Go back to Fluorine Binding Sites List in 7p80
Fluorine binding site 4 out of 4 in the Crystal Structure of Clpp From Bacillus Subtilis in Complex with ADEP2 (Compressed 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 (Compressed State) within 5.0Å range:
probe atom residue distance (Å) B Occ
J:F2

b:85.7
occ:1.00
 F2 J:WFP2 0.0 85.7 1.0
CE2 J:WFP2 1.4 77.7 1.0
CZ J:WFP2 2.4 81.7 1.0
CD2 J:WFP2 2.4 77.7 1.0
CD2 F:LEU114 2.7 75.2 1.0
CG F:LEU114 3.0 59.9 1.0
CD1 F:LEU114 3.1 70.1 1.0
CB G:PHE82 3.3 77.2 1.0
CG G:PHE82 3.4 76.6 1.0
CD2 G:PHE82 3.6 82.5 1.0
CE1 J:WFP2 3.6 76.0 1.0
CG J:WFP2 3.6 81.7 1.0
CD1 G:PHE82 4.1 78.2 1.0
CD1 J:WFP2 4.1 77.8 1.0
O G:ASP78 4.2 69.7 1.0
CA G:THR79 4.3 66.7 1.0
CE2 G:PHE82 4.4 85.9 1.0
CB F:LEU114 4.5 63.8 1.0
C G:ASP78 4.5 66.0 1.0
N G:THR79 4.6 66.8 1.0
F1 J:WFP2 4.8 83.1 1.0
CA G:PHE82 4.8 89.2 1.0
CE1 G:PHE82 4.8 79.4 1.0
CB J:WFP2 4.9 68.0 1.0
CG2 G:THR79 4.9 65.0 1.0
O F:LEU189 5.0 77.0 1.0
CZ G:PHE82 5.0 81.5 1.0

Reference:

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
Page generated: Tue Jul 15 22:43:25 2025

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