Fluorine in PDB 2gmv: Pepck Complex with A Gtp-Competitive Inhibitor

All present enzymatic activity of Pepck Complex with A Gtp-Competitive Inhibitor:
4.1.1.32;

The structure of Pepck Complex with A Gtp-Competitive Inhibitor, PDB code: 2gmv was solved by P.Dunten, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.31 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	128.011, 66.134, 137.360, 90.00, 145.09, 90.00
R / Rfree (%)	21.7 / 28.7

The structure of Pepck Complex with A Gtp-Competitive Inhibitor also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Fluorine atom in the Pepck Complex with A Gtp-Competitive Inhibitor (pdb code 2gmv). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Pepck Complex with A Gtp-Competitive Inhibitor, PDB code: 2gmv:

Fluorine binding site 1 out of 1 in the Pepck Complex with A Gtp-Competitive Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pepck Complex with A Gtp-Competitive Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F703 b:23.2 occ:1.00 F24 A:UN8703 0.0 23.2 1.0 C19 A:UN8703 1.4 23.8 1.0 C18 A:UN8703 2.4 26.8 1.0 C20 A:UN8703 2.4 27.3 1.0 ND2 A:ASN533 2.8 21.7 1.0 C17 A:UN8703 2.8 22.3 1.0 CD1 A:LEU293 3.3 22.1 1.0 CB A:LEU293 3.6 24.1 1.0 C23 A:UN8703 3.6 27.2 1.0 C21 A:UN8703 3.7 26.6 1.0 O A:HOH708 3.7 23.4 1.0 O57 A:UN8703 3.8 24.6 1.0 NE1 A:TRP516 3.8 21.7 1.0 CG A:ASN533 3.9 20.4 1.0 CA A:LEU293 3.9 23.5 1.0 CG A:LEU293 4.0 24.9 1.0 N51 A:UN8703 4.0 23.3 1.0 O A:PHE530 4.0 24.6 1.0 C22 A:UN8703 4.1 28.7 1.0 CB A:ASN533 4.2 20.8 1.0 CE2 A:TRP516 4.2 24.0 1.0 N A:LEU293 4.3 23.6 1.0 C56 A:UN8703 4.3 23.3 1.0 CD1 A:TRP516 4.4 23.8 1.0 CZ2 A:TRP516 4.5 25.3 1.0 CD2 A:LEU293 4.5 25.5 1.0 CA A:PHE530 4.6 26.3 1.0 O A:GLY289 4.6 28.5 1.0 C A:PHE530 4.7 24.9 1.0 SD A:MET296 4.8 23.4 1.0 N A:PHE530 4.8 20.0 1.0 C A:ASN292 4.8 25.7 1.0 CD2 A:TRP516 4.9 19.2 1.0 OD1 A:ASN533 5.0 21.7 1.0

S.L.Pietranico, L.H.Foley, N.Huby, W.Yun, P.Dunten, J.Vermeulen, P.Wang, K.Toth, G.Ramsey, M.L.Gubler, S.J.Wertheimer. C-8 Modifications of 3-Alkyl-1,8-Dibenzylxanthines As Inhibitors of Human Cytosolic Phosphoenolpyruvate Carboxykinase. Bioorg.Med.Chem.Lett. V. 17 3835 2007.
ISSN: ISSN 0960-894X
PubMed: 17532214
DOI: 10.1016/J.BMCL.2007.05.013