Fluorine in PDB 2gg5: Novel Bacterial Methionine Aminopeptidase Inhibitors

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

The structure of Novel Bacterial Methionine Aminopeptidase Inhibitors, PDB code: 2gg5 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)	31.67 / 2.12
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	38.776, 61.457, 53.902, 90.00, 107.67, 90.00
R / Rfree (%)	19.5 / 30

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

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

The binding sites of Fluorine atom in the Novel Bacterial Methionine Aminopeptidase Inhibitors (pdb code 2gg5). 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: 2gg5:
Jump to Fluorine binding site number: 1; 2; 3;

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:F501 b:25.1 occ:1.00 F3 A:U19501 0.0 25.1 1.0 C7 A:U19501 1.3 33.3 1.0 F2 A:U19501 2.1 29.2 1.0 F1 A:U19501 2.2 34.3 1.0 C3 A:U19501 2.4 33.6 1.0 SG A:CYS70 2.9 25.8 1.0 N1 A:U19501 3.1 38.0 1.0 C1 A:U19501 3.1 38.2 1.0 C6 A:U19501 3.5 32.6 1.0 N5 A:U19501 3.9 35.2 1.0 CD2 A:HIS79 4.1 22.1 1.0 CD1 A:TYR65 4.2 27.7 1.0 CG A:TYR65 4.2 21.9 1.0 N2 A:U19501 4.2 35.6 1.0 SG A:CYS59 4.2 55.0 1.0 CE1 A:TYR65 4.3 20.1 1.0 CG A:HIS79 4.4 31.4 1.0 C4 A:U19501 4.4 35.2 1.0 CD2 A:TYR65 4.5 26.6 1.0 O A:HOH690 4.5 29.2 1.0 CZ A:TYR65 4.6 22.8 1.0 CB A:CYS70 4.6 24.6 1.0 C2 A:U19501 4.7 34.2 1.0 CB A:HIS79 4.7 33.2 1.0 CE2 A:TYR65 4.7 26.0 1.0 NE2 A:HIS79 4.7 33.8 1.0 CB A:TYR65 4.8 21.9 1.0 C10 A:U19501 4.8 29.9 1.0 C8 A:U19501 4.9 31.5 1.0

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:F501 b:34.3 occ:1.00 F1 A:U19501 0.0 34.3 1.0 C7 A:U19501 1.3 33.3 1.0 F2 A:U19501 2.1 29.2 1.0 F3 A:U19501 2.2 25.1 1.0 C3 A:U19501 2.4 33.6 1.0 C6 A:U19501 2.8 32.6 1.0 CB A:TYR65 3.1 21.9 1.0 CG A:TYR65 3.2 21.9 1.0 O A:CYS59 3.6 32.9 1.0 CD1 A:TYR65 3.6 27.7 1.0 C1 A:U19501 3.6 38.2 1.0 CD2 A:TYR65 3.7 26.6 1.0 CD2 A:TYR62 3.9 16.6 1.0 O A:TYR62 3.9 26.0 1.0 N1 A:U19501 4.1 38.0 1.0 C2 A:U19501 4.1 34.2 1.0 CA A:CYS59 4.2 35.1 1.0 C A:CYS59 4.3 33.8 1.0 CB A:TYR62 4.3 27.7 1.0 CE1 A:TYR65 4.4 20.1 1.0 CZ3 A:TRP221 4.5 22.6 1.0 SG A:CYS59 4.5 55.0 1.0 CA A:TYR65 4.5 20.2 1.0 CE2 A:TYR65 4.6 26.0 1.0 CH2 A:TRP221 4.6 27.5 1.0 CG A:TYR62 4.6 25.9 1.0 CB A:CYS59 4.6 36.2 1.0 SG A:CYS70 4.6 25.8 1.0 C4 A:U19501 4.8 35.2 1.0 CE2 A:TYR62 4.8 20.1 1.0 C A:TYR62 4.8 25.4 1.0 CZ A:TYR65 4.8 22.8 1.0 C5 A:U19501 5.0 35.2 1.0

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:F501 b:29.2 occ:1.00 F2 A:U19501 0.0 29.2 1.0 C7 A:U19501 1.3 33.3 1.0 F1 A:U19501 2.1 34.3 1.0 F3 A:U19501 2.1 25.1 1.0 C3 A:U19501 2.3 33.6 1.0 N1 A:U19501 2.7 38.0 1.0 C1 A:U19501 2.8 38.2 1.0 CE2 A:PHE177 3.4 21.8 1.0 C6 A:U19501 3.5 32.6 1.0 N5 A:U19501 3.5 35.2 1.0 CZ A:PHE177 3.6 19.6 1.0 CD2 A:TYR62 3.8 16.6 1.0 N2 A:U19501 3.8 35.6 1.0 SG A:CYS59 3.9 55.0 1.0 CA A:CYS59 4.1 35.1 1.0 C4 A:U19501 4.2 35.2 1.0 O A:HOH690 4.3 29.2 1.0 CE2 A:TYR62 4.3 20.1 1.0 C10 A:U19501 4.4 29.9 1.0 C8 A:U19501 4.4 31.5 1.0 CG A:TYR62 4.5 25.9 1.0 SG A:CYS70 4.5 25.8 1.0 O A:CYS59 4.5 32.9 1.0 CB A:CYS59 4.6 36.2 1.0 C2 A:U19501 4.6 34.2 1.0 CD2 A:PHE177 4.6 17.1 1.0 CB A:TYR62 4.7 27.7 1.0 O A:ALA58 4.8 29.2 1.0 N A:CYS59 4.8 32.8 1.0 C A:CYS59 4.8 33.8 1.0 C5 A:U19501 4.9 35.2 1.0 CE1 A:PHE177 5.0 21.5 1.0

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