Fluorine in PDB 2rjr: Substrate Mimic Bound to Sgtam

All present enzymatic activity of Substrate Mimic Bound to Sgtam:
5.4.3.6;

The structure of Substrate Mimic Bound to Sgtam, PDB code: 2rjr was solved by T.J.Montavon, C.V.Christianson, S.D.Bruner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.10
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	92.245, 145.648, 75.114, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 21.2

The binding sites of Fluorine atom in the Substrate Mimic Bound to Sgtam (pdb code 2rjr). 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 Substrate Mimic Bound to Sgtam, PDB code: 2rjr:

Fluorine binding site 1 out of 1 in the Substrate Mimic Bound to Sgtam


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Substrate Mimic Bound to Sgtam within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:44.9 occ:1.00 F1 A:2951001 0.0 44.9 1.0 C5 A:2951001 1.3 44.5 1.0 C A:2951001 2.3 44.7 1.0 C4 A:2951001 2.3 45.6 1.0 NE2 A:HIS93 2.4 22.4 1.0 O A:HOH1165 3.1 28.0 1.0 CE1 A:HIS93 3.2 23.1 1.0 CD2 A:HIS93 3.6 22.4 1.0 C3 A:2951001 3.6 45.9 1.0 C1 A:2951001 3.6 44.7 1.0 C2 A:2951001 4.1 45.1 1.0 OD1 A:ASN438 4.3 27.0 1.0 ND1 A:HIS93 4.4 21.6 1.0 CB A:TYR69 4.5 25.7 1.0 CD1 A:LEU156 4.6 23.2 1.0 CG A:HIS93 4.6 21.3 1.0 CG A:ASN438 4.7 26.1 1.0 C A:TYR69 4.8 25.7 1.0 O A:TYR69 4.8 26.4 1.0 ND2 A:ASN438 4.8 23.4 1.0 N A:GLY70 4.8 26.0 1.0 CA A:GLY70 4.9 24.5 1.0

T.J.Montavon, C.V.Christianson, G.M.Festin, B.Shen, S.D.Bruner. Design and Characterization of Mechanism-Based Inhibitors For the Tyrosine Aminomutase Sgtam. Bioorg.Med.Chem.Lett. V. 18 3099 2008.
ISSN: ISSN 0960-894X
PubMed: 18078753
DOI: 10.1016/J.BMCL.2007.11.046