Fluorine in PDB 1uqt: Trehalose-6-Phosphate From E. Coli Bound with Udp-2-Fluoro Glucose.

All present enzymatic activity of Trehalose-6-Phosphate From E. Coli Bound with Udp-2-Fluoro Glucose.:
2.4.1.15;

The structure of Trehalose-6-Phosphate From E. Coli Bound with Udp-2-Fluoro Glucose., PDB code: 1uqt was solved by R.P.Gibson, C.A.Tarling, S.Roberts, S.G.Withers, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.92 / 2.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	88.919, 101.521, 118.207, 90.00, 90.00, 90.00
R / Rfree (%)	21.9 / 25.1

The binding sites of Fluorine atom in the Trehalose-6-Phosphate From E. Coli Bound with Udp-2-Fluoro Glucose. (pdb code 1uqt). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Trehalose-6-Phosphate From E. Coli Bound with Udp-2-Fluoro Glucose., PDB code: 1uqt:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Trehalose-6-Phosphate From E. Coli Bound with Udp-2-Fluoro Glucose.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Trehalose-6-Phosphate From E. Coli Bound with Udp-2-Fluoro Glucose. within 5.0Å range: probe atom residue distance (Å) B Occ A:F900 b:30.0 occ:1.00 F1 A:U2F900 0.0 30.0 1.0 C2 A:U2F900 1.4 28.6 1.0 C1 A:U2F900 2.4 32.0 1.0 C3 A:U2F900 2.4 28.1 1.0 O2B A:U2F900 2.6 25.1 1.0 O A:HOH2008 2.6 20.9 1.0 O3 A:U2F900 3.0 22.3 1.0 O1 A:U2F900 3.3 27.0 1.0 OD1 A:ASP361 3.4 23.7 1.0 O A:HOH2041 3.4 34.2 1.0 O5 A:U2F900 3.5 28.2 1.0 PB A:U2F900 3.6 28.2 1.0 CH2 A:TRP85 3.6 15.5 1.0 C4 A:U2F900 3.8 26.1 1.0 CG2 A:ILE155 4.1 18.7 1.0 C5 A:U2F900 4.2 26.4 1.0 CZ3 A:TRP85 4.3 14.0 1.0 NH2 A:ARG262 4.3 21.8 1.0 O3A A:U2F900 4.4 24.1 1.0 NZ A:LYS267 4.5 18.6 1.0 CG A:ASP361 4.6 20.0 1.0 O A:HIS154 4.6 17.0 1.0 CZ2 A:TRP85 4.6 15.1 1.0 N A:GLY362 4.7 17.1 1.0 NE2 A:HIS89 4.7 21.4 1.0 O1B A:U2F900 4.7 25.3 1.0 O4 A:U2F900 4.9 24.5 1.0

Fluorine binding site 2 out of 2 in the Trehalose-6-Phosphate From E. Coli Bound with Udp-2-Fluoro Glucose.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Trehalose-6-Phosphate From E. Coli Bound with Udp-2-Fluoro Glucose. within 5.0Å range: probe atom residue distance (Å) B Occ B:F901 b:46.0 occ:1.00 F1 B:U2F901 0.0 46.0 1.0 C2 B:U2F901 1.4 44.0 1.0 C1 B:U2F901 2.4 44.6 1.0 O B:HOH2001 2.5 28.4 1.0 C3 B:U2F901 2.5 41.4 1.0 O2B B:U2F901 2.8 43.6 1.0 O3 B:U2F901 3.1 38.2 1.0 OD1 B:ASP361 3.3 23.9 1.0 O1 B:U2F901 3.4 44.7 1.0 CH2 B:TRP85 3.5 18.9 1.0 O5 B:U2F901 3.5 41.1 1.0 PB B:U2F901 3.8 45.8 1.0 C4 B:U2F901 3.8 39.8 1.0 CZ3 B:TRP85 4.2 19.5 1.0 CG2 B:ILE155 4.2 15.2 1.0 C5 B:U2F901 4.3 40.2 1.0 CZ2 B:TRP85 4.5 17.8 1.0 CG B:ASP361 4.6 20.2 1.0 NE2 B:HIS89 4.6 16.8 1.0 NH2 B:ARG262 4.6 23.6 1.0 NZ B:LYS267 4.7 22.6 1.0 O3A B:U2F901 4.7 41.1 1.0 N B:GLY362 4.7 15.6 1.0 O1B B:U2F901 4.9 39.4 1.0 O B:HIS154 4.9 15.9 1.0

R.P.Gibson, C.A.Tarling, S.Roberts, S.G.Withers, G.J.Davies. The Donor Subsite of Trehalose-6-Phosphate Synthase: Binary Complexes with Udp-Glucose and Udp-2-Deoxy-2-Fluoro-Glucose at 2 A Resolution. J. Biol. Chem. V. 279 1950 2004.
ISSN: ISSN 0021-9258
PubMed: 14570926
DOI: 10.1074/JBC.M307643200