Fluorine in PDB 1i45: Yeast Triosephosphate Isomerase (Mutant)

All present enzymatic activity of Yeast Triosephosphate Isomerase (Mutant):
5.3.1.1;

The structure of Yeast Triosephosphate Isomerase (Mutant), PDB code: 1i45 was solved by S.Rozovsky, G.Jogl, L.Tong, A.E.Mcdermott, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.75 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	60.601, 97.058, 49.245, 90.00, 91.70, 90.00
R / Rfree (%)	17.5 / 20.8

The binding sites of Fluorine atom in the Yeast Triosephosphate Isomerase (Mutant) (pdb code 1i45). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Yeast Triosephosphate Isomerase (Mutant), PDB code: 1i45:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Yeast Triosephosphate Isomerase (Mutant)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Yeast Triosephosphate Isomerase (Mutant) within 5.0Å range: probe atom residue distance (Å) B Occ A:F168 b:24.6 occ:0.57 F A:FTR168 0.0 24.6 0.6 CZ3 A:FTR168 1.3 21.3 1.0 CE3 A:FTR168 2.3 20.7 1.0 CH2 A:FTR168 2.4 20.6 1.0 O A:HOH479 2.8 36.5 1.0 CB A:LEU174 3.5 25.8 1.0 O A:ALA175 3.5 21.3 1.0 O A:HOH478 3.5 33.6 1.0 CD2 A:FTR168 3.6 18.8 1.0 CZ2 A:FTR168 3.6 19.9 1.0 C A:ALA175 3.7 22.2 1.0 N A:ALA175 3.7 23.2 1.0 O A:HOH377 3.8 22.3 1.0 CE2 A:FTR168 4.1 18.7 1.0 N A:ALA176 4.1 20.9 1.0 CD1 A:LEU174 4.1 29.6 1.0 C A:LEU174 4.2 24.3 1.0 CA A:ALA175 4.3 22.0 1.0 CG A:LEU174 4.4 27.9 1.0 CA A:LEU174 4.4 24.3 1.0 CA A:ALA176 4.4 20.2 1.0 CB A:ALA169 4.6 16.5 1.0 O A:HOH294 4.8 27.1 1.0 CE A:LYS134 4.8 24.8 1.0 OD1 A:ASP180 4.9 21.3 1.0 CD2 A:LEU174 4.9 28.8 1.0 CB A:ALA176 4.9 20.3 1.0 CG A:FTR168 5.0 18.4 1.0 O A:LEU174 5.0 24.8 1.0

Fluorine binding site 2 out of 2 in the Yeast Triosephosphate Isomerase (Mutant)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Yeast Triosephosphate Isomerase (Mutant) within 5.0Å range: probe atom residue distance (Å) B Occ B:F168 b:20.8 occ:0.52 F B:FTR168 0.0 20.8 0.5 CZ3 B:FTR168 1.3 19.1 1.0 CE3 B:FTR168 2.3 18.3 1.0 CH2 B:FTR168 2.4 19.5 1.0 O B:HOH546 2.9 45.9 1.0 CB B:LEU174 3.4 25.9 1.0 O B:ALA175 3.5 25.2 1.0 CD2 B:FTR168 3.6 17.1 1.0 CZ2 B:FTR168 3.6 18.2 1.0 C B:ALA175 3.7 23.3 1.0 N B:ALA175 3.7 24.2 1.0 O B:HOH269 4.0 24.5 1.0 CE2 B:FTR168 4.1 16.5 1.0 N B:ALA176 4.1 22.2 1.0 C B:LEU174 4.2 25.1 1.0 CD1 B:LEU174 4.2 27.7 1.0 CA B:ALA175 4.3 24.1 1.0 CG B:LEU174 4.3 27.8 1.0 CA B:LEU174 4.3 24.6 1.0 CA B:ALA176 4.4 21.3 1.0 CB B:ALA169 4.5 18.1 1.0 CD2 B:LEU174 4.7 27.4 1.0 CG B:FTR168 4.9 16.6 1.0 O B:LEU174 4.9 26.2 1.0 CA B:ALA169 4.9 17.3 1.0 OD1 B:ASP180 5.0 25.8 1.0 CB B:ALA176 5.0 21.5 1.0

S.Rozovsky, G.Jogl, L.Tong, A.E.Mcdermott. Solution-State uc(Nmr) Investigations of Triosephosphate Isomerase Active Site Loop Motion: Ligand Release in Relation to Active Site Loop Dynamics. J.Mol.Biol. V. 310 271 2001.
ISSN: ISSN 0022-2836
PubMed: 11419952
DOI: 10.1006/JMBI.2001.4673