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Fluorine in PDB 2gg0: Novel Bacterial Methionine Aminopeptidase Inhibitors

Enzymatic activity of Novel Bacterial Methionine Aminopeptidase Inhibitors

All present enzymatic activity of Novel Bacterial Methionine Aminopeptidase Inhibitors:
3.4.11.18;

Protein crystallography data

The structure of Novel Bacterial Methionine Aminopeptidase Inhibitors, PDB code: 2gg0 was solved by A.G.Evdokimov, M.E.Pokross, R.L.Walter, M.Mekel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.75 / 1.28
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 39.481, 63.055, 52.641, 90.00, 109.88, 90.00
R / Rfree (%) 16.3 / 20.9

Other elements in 2gg0:

The structure of Novel Bacterial Methionine Aminopeptidase Inhibitors also contains other interesting chemical elements:

Cobalt (Co) 2 atoms
Sodium (Na) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Novel Bacterial Methionine Aminopeptidase Inhibitors (pdb code 2gg0). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Novel Bacterial Methionine Aminopeptidase Inhibitors, PDB code: 2gg0:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 2gg0

Go back to Fluorine Binding Sites List in 2gg0
Fluorine binding site 1 out of 3 in the Novel Bacterial Methionine Aminopeptidase Inhibitors


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Novel Bacterial Methionine Aminopeptidase Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:28.0
occ:1.00
F29 A:U11601 0.0 28.0 1.0
C9 A:U11601 1.3 17.2 1.0
F30 A:U11601 2.1 34.7 1.0
F31 A:U11601 2.2 28.9 1.0
C5 A:U11601 2.3 15.3 1.0
C2 A:U11601 3.1 12.7 1.0
C6 A:U11601 3.1 14.6 1.0
CG A:TYR65 3.7 11.2 1.0
CD2 A:TYR62 3.7 20.9 1.0
CB A:TYR65 3.8 11.4 1.0
CD1 A:TYR65 4.1 15.1 1.0
CD2 A:TYR65 4.1 11.4 1.0
C4 A:U11601 4.3 11.2 1.0
CB A:CYS59 4.3 13.5 1.0
C3 A:U11601 4.3 12.6 1.0
O A:CYS59 4.4 14.0 1.0
O A:TYR62 4.4 14.0 1.0
SG A:CYS59 4.4 15.7 1.0
CE2 A:TYR62 4.5 27.5 1.0
CB A:TYR62 4.6 15.2 1.0
CZ3 A:TRP221 4.6 15.2 1.0
CG A:TYR62 4.6 18.1 1.0
CA A:CYS59 4.6 12.0 1.0
CE1 A:TYR65 4.7 14.5 1.0
SG A:CYS70 4.7 12.4 1.0
CE2 A:TYR65 4.7 13.8 1.0
C7 A:U11601 4.8 8.9 1.0
C A:CYS59 5.0 11.3 1.0

Fluorine binding site 2 out of 3 in 2gg0

Go back to Fluorine Binding Sites List in 2gg0
Fluorine binding site 2 out of 3 in the Novel Bacterial Methionine Aminopeptidase Inhibitors


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Novel Bacterial Methionine Aminopeptidase Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:34.7
occ:1.00
F30 A:U11601 0.0 34.7 1.0
C9 A:U11601 1.3 17.2 1.0
F29 A:U11601 2.1 28.0 1.0
F31 A:U11601 2.2 28.9 1.0
C5 A:U11601 2.3 15.3 1.0
C6 A:U11601 2.7 14.6 1.0
CD2 A:TYR62 3.2 20.9 1.0
CE2 A:TYR62 3.3 27.5 1.0
O A:HOH975 3.4 31.5 1.0
C2 A:U11601 3.6 12.7 1.0
C3 A:U11601 4.1 12.6 1.0
CZ3 A:TRP221 4.2 15.2 1.0
CG A:TYR62 4.5 18.1 1.0
CZ A:TYR62 4.6 23.2 1.0
O A:TYR62 4.7 14.0 1.0
C4 A:U11601 4.7 11.2 1.0
C43 A:U11601 4.9 28.5 1.0
CH2 A:TRP221 4.9 18.2 1.0
C7 A:U11601 4.9 8.9 1.0
CE1 A:HIS79 5.0 16.0 1.0
CE3 A:TRP221 5.0 18.2 1.0

Fluorine binding site 3 out of 3 in 2gg0

Go back to Fluorine Binding Sites List in 2gg0
Fluorine binding site 3 out of 3 in the Novel Bacterial Methionine Aminopeptidase Inhibitors


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Novel Bacterial Methionine Aminopeptidase Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:28.9
occ:1.00
F31 A:U11601 0.0 28.9 1.0
C9 A:U11601 1.3 17.2 1.0
F30 A:U11601 2.2 34.7 1.0
F29 A:U11601 2.2 28.0 1.0
C5 A:U11601 2.4 15.3 1.0
C2 A:U11601 2.9 12.7 1.0
C6 A:U11601 3.6 14.6 1.0
CG A:HIS79 3.7 10.4 1.0
CZ3 A:TRP221 3.8 15.2 1.0
ND1 A:HIS79 3.9 14.7 1.0
CD2 A:HIS79 3.9 12.2 1.0
CE3 A:TRP221 4.0 18.2 1.0
CE1 A:HIS79 4.0 16.0 1.0
NE2 A:HIS79 4.0 15.6 1.0
CD1 A:TYR65 4.2 15.1 1.0
C4 A:U11601 4.3 11.2 1.0
CB A:HIS79 4.3 10.9 1.0
SG A:CYS70 4.6 12.4 1.0
CG A:TYR65 4.6 11.2 1.0
CE1 A:TYR65 4.6 14.5 1.0
O A:HOH975 4.7 31.5 1.0
C3 A:U11601 4.8 12.6 1.0
CH2 A:TRP221 4.8 18.2 1.0
CB A:TYR65 4.9 11.4 1.0

Reference:

A.G.Evdokimov, M.Pokross, R.L.Walter, M.Mekel, B.L.Barnett, J.Amburgey, W.L.Seibel, S.J.Soper, J.F.Djung, N.Fairweather, C.Diven, V.Rastogi, L.Grinius, C.Klanke, R.Siehnel, T.Twinem, R.Andrews, A.Curnow. Serendipitous Discovery of Novel Bacterial Methionine Aminopeptidase Inhibitors. Proteins V. 66 538 2007.
ISSN: ISSN 0887-3585
PubMed: 17120228
DOI: 10.1002/PROT.21207
Page generated: Wed Jul 31 14:33:46 2024

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