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Fluorine in PDB 4z7m: Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad- Spectrum Biochemical Activity

Enzymatic activity of Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad- Spectrum Biochemical Activity

All present enzymatic activity of Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad- Spectrum Biochemical Activity:
3.4.11.18;

Protein crystallography data

The structure of Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad- Spectrum Biochemical Activity, PDB code: 4z7m was solved by J.A.Rose, S.D.Lahiri, D.C.Mckinney, R.Albert, M.Morningstar, A.B.Shapiro, S.F.Fisher, P.R.Fleming, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.57 / 1.43
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 61.985, 62.712, 72.978, 90.00, 89.59, 90.00
R / Rfree (%) 25.1 / 30.6

Other elements in 4z7m:

The structure of Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad- Spectrum Biochemical Activity also contains other interesting chemical elements:

Manganese (Mn) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad- Spectrum Biochemical Activity (pdb code 4z7m). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad- Spectrum Biochemical Activity, PDB code: 4z7m:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 4z7m

Go back to Fluorine Binding Sites List in 4z7m
Fluorine binding site 1 out of 4 in the Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad- Spectrum Biochemical Activity


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad- Spectrum Biochemical Activity within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F302

b:46.6
occ:1.00
 F34 A:4L9302 0.0 46.6 1.0
C32 A:4L9302 1.3 34.5 1.0
C33 A:4L9302 2.3 31.8 1.0
C31 A:4L9302 2.4 34.7 1.0
SG A:CYS59 3.1 35.3 1.0
SG A:CYS70 3.2 39.9 1.0
CB A:CYS59 3.3 25.7 1.0
CD2 A:TYR65 3.4 27.4 1.0
CG A:TYR65 3.5 26.4 1.0
CE2 A:TYR65 3.5 27.2 1.0
C28 A:4L9302 3.6 31.7 1.0
C30 A:4L9302 3.6 36.7 1.0
CD1 A:TYR65 3.8 28.0 1.0
CZ A:TYR65 3.8 27.6 1.0
CE1 A:TYR65 3.9 29.1 1.0
CA A:CYS59 4.0 23.3 1.0
C29 A:4L9302 4.1 34.5 1.0
CB A:TYR65 4.2 26.1 1.0
OH A:TYR65 4.6 30.4 1.0
O A:CYS59 4.7 23.4 1.0
F35 A:4L9302 4.7 36.4 1.0
C A:CYS59 4.7 22.4 1.0
C27 A:4L9302 4.7 28.1 1.0
CB A:CYS70 4.8 34.3 1.0
N A:CYS70 4.9 25.1 1.0
CE2 A:PHE177 5.0 31.8 1.0

Fluorine binding site 2 out of 4 in 4z7m

Go back to Fluorine Binding Sites List in 4z7m
Fluorine binding site 2 out of 4 in the Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad- Spectrum Biochemical Activity


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad- Spectrum Biochemical Activity within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F302

b:36.4
occ:1.00
 F35 A:4L9302 0.0 36.4 1.0
C30 A:4L9302 1.3 36.7 1.0
C29 A:4L9302 2.3 34.5 1.0
C31 A:4L9302 2.3 34.7 1.0
C22 A:4L9302 3.2 26.3 1.0
CZ3 A:TRP221 3.3 29.2 1.0
C32 A:4L9302 3.6 34.5 1.0
C28 A:4L9302 3.6 31.7 1.0
C21 A:4L9302 3.6 28.1 1.0
CH2 A:TRP221 3.9 26.6 1.0
CD2 A:TYR62 3.9 23.1 1.0
CE2 A:TYR62 3.9 22.8 1.0
C33 A:4L9302 4.1 31.8 1.0
CE1 A:HIS178 4.1 28.2 1.0
NE2 A:HIS79 4.2 34.6 1.0
C23 A:4L9302 4.3 28.7 1.0
CE3 A:TRP221 4.3 28.4 1.0
O5 A:4L9302 4.5 32.3 1.0
CE1 A:HIS79 4.6 35.3 1.0
CD2 A:HIS79 4.6 37.4 1.0
F34 A:4L9302 4.7 46.6 1.0
NE2 A:HIS178 4.8 26.8 1.0
C27 A:4L9302 4.9 28.1 1.0
C20 A:4L9302 4.9 30.0 1.0

Fluorine binding site 3 out of 4 in 4z7m

Go back to Fluorine Binding Sites List in 4z7m
Fluorine binding site 3 out of 4 in the Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad- Spectrum Biochemical Activity


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad- Spectrum Biochemical Activity within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F302

b:36.3
occ:1.00
 F34 B:4L9302 0.0 36.3 1.0
C32 B:4L9302 1.4 30.3 1.0
C31 B:4L9302 2.4 33.3 1.0
C33 B:4L9302 2.4 29.3 1.0
CD2 B:TYR65 3.2 30.5 1.0
SG B:CYS59 3.3 35.4 1.0
CB B:CYS59 3.3 28.2 1.0
SG B:CYS70 3.3 39.8 1.0
CG B:TYR65 3.4 26.0 1.0
CE2 B:TYR65 3.5 28.4 1.0
C30 B:4L9302 3.6 34.7 1.0
C28 B:4L9302 3.7 28.0 1.0
CD1 B:TYR65 3.7 27.9 1.0
CZ B:TYR65 3.8 28.2 1.0
CE1 B:TYR65 3.9 25.3 1.0
CA B:CYS59 3.9 24.6 1.0
CB B:TYR65 4.1 25.3 1.0
C29 B:4L9302 4.1 31.3 1.0
O B:CYS59 4.4 23.4 1.0
C B:CYS59 4.6 24.1 1.0
F35 B:4L9302 4.7 38.0 1.0
OH B:TYR65 4.7 30.4 1.0
CE2 B:PHE177 4.8 26.7 1.0
C27 B:4L9302 4.8 25.1 1.0

Fluorine binding site 4 out of 4 in 4z7m

Go back to Fluorine Binding Sites List in 4z7m
Fluorine binding site 4 out of 4 in the Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad- Spectrum Biochemical Activity


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad- Spectrum Biochemical Activity within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F302

b:38.0
occ:1.00
 F35 B:4L9302 0.0 38.0 1.0
C30 B:4L9302 1.3 34.7 1.0
C31 B:4L9302 2.3 33.3 1.0
C29 B:4L9302 2.4 31.3 1.0
C22 B:4L9302 3.2 25.4 1.0
CZ3 B:TRP221 3.4 29.2 1.0
C21 B:4L9302 3.5 25.6 1.0
C32 B:4L9302 3.6 30.3 1.0
C28 B:4L9302 3.6 28.0 1.0
CE2 B:TYR62 3.7 22.7 1.0
CD2 B:TYR62 3.7 23.3 1.0
CE1 B:HIS178 4.0 32.3 1.0
CH2 B:TRP221 4.0 26.3 1.0
C33 B:4L9302 4.1 29.3 1.0
C23 B:4L9302 4.3 24.8 1.0
NE2 B:HIS79 4.3 36.8 1.0
CE3 B:TRP221 4.5 27.5 1.0
NE2 B:HIS178 4.6 27.4 1.0
F34 B:4L9302 4.7 36.3 1.0
O5 B:4L9302 4.7 34.7 1.0
CD2 B:HIS79 4.7 38.6 1.0
CE1 B:HIS79 4.8 37.0 1.0
C20 B:4L9302 4.8 26.7 1.0
ND1 B:HIS178 4.9 32.1 1.0
C27 B:4L9302 4.9 25.1 1.0
CZ B:TYR62 4.9 22.2 1.0

Reference:

J.A.Rose, S.D.Lahiri, D.C.Mckinney, R.Albert, M.Morningstar, A.B.Shapiro, S.F.Fisher, P.R.Fleming. Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad-Spectrum Biochemical Activity To Be Published.
Page generated: Thu Aug 1 07:11:02 2024

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