Fluorine in PDB 2eud: Structures of Yeast Ribonucleotide Reductase I Complexed with Ligands and Subunit Peptides

All present enzymatic activity of Structures of Yeast Ribonucleotide Reductase I Complexed with Ligands and Subunit Peptides:
1.17.4.1;

The structure of Structures of Yeast Ribonucleotide Reductase I Complexed with Ligands and Subunit Peptides, PDB code: 2eud was solved by C.Dealwis, H.Xu, C.Faber, T.Uchiki, J.W.Fairman, J.Racca, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.30
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	107.578, 117.216, 63.990, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 24

The structure of Structures of Yeast Ribonucleotide Reductase I Complexed with Ligands and Subunit Peptides also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the Structures of Yeast Ribonucleotide Reductase I Complexed with Ligands and Subunit Peptides (pdb code 2eud). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Structures of Yeast Ribonucleotide Reductase I Complexed with Ligands and Subunit Peptides, PDB code: 2eud:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Structures of Yeast Ribonucleotide Reductase I Complexed with Ligands and Subunit Peptides


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structures of Yeast Ribonucleotide Reductase I Complexed with Ligands and Subunit Peptides within 5.0Å range: probe atom residue distance (Å) B Occ A:F891 b:58.3 occ:1.00 F1 A:GCQ891 0.0 58.3 1.0 C2' A:GCQ891 1.4 57.8 1.0 F2 A:GCQ891 2.2 57.8 1.0 C3' A:GCQ891 2.4 57.6 1.0 C1' A:GCQ891 2.4 58.9 1.0 O3' A:GCQ891 2.6 57.0 1.0 N A:GLY247 3.1 32.3 1.0 CA A:GLY247 3.1 31.1 1.0 CD2 A:LEU427 3.4 33.9 1.0 C4' A:GCQ891 3.4 57.2 1.0 O4' A:GCQ891 3.4 57.7 1.0 N1 A:GCQ891 3.5 59.2 1.0 O2 A:GCQ891 3.5 60.1 1.0 O A:SER217 3.6 38.3 1.0 C2 A:GCQ891 3.9 60.0 1.0 C A:GLY246 3.9 34.6 1.0 SG A:CYS218 4.0 47.9 1.0 C A:GLY247 4.5 30.0 1.0 O A:GLY246 4.5 34.4 1.0 C6 A:GCQ891 4.6 59.1 1.0 CA A:GLY246 4.6 36.0 1.0 O A:HOH1092 4.6 48.0 1.0 CG A:LEU427 4.6 32.5 1.0 CB A:ALA296 4.7 60.0 1.0 C5' A:GCQ891 4.8 55.4 1.0 C A:SER217 4.8 35.7 1.0 CB A:LEU427 4.9 29.9 1.0

Fluorine binding site 2 out of 2 in the Structures of Yeast Ribonucleotide Reductase I Complexed with Ligands and Subunit Peptides


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structures of Yeast Ribonucleotide Reductase I Complexed with Ligands and Subunit Peptides within 5.0Å range: probe atom residue distance (Å) B Occ A:F891 b:57.8 occ:1.00 F2 A:GCQ891 0.0 57.8 1.0 C2' A:GCQ891 1.3 57.8 1.0 F1 A:GCQ891 2.2 58.3 1.0 C3' A:GCQ891 2.3 57.6 1.0 C1' A:GCQ891 2.4 58.9 1.0 N1 A:GCQ891 2.6 59.2 1.0 C6 A:GCQ891 3.2 59.1 1.0 C2 A:GCQ891 3.3 60.0 1.0 O3' A:GCQ891 3.4 57.0 1.0 O4' A:GCQ891 3.4 57.7 1.0 C4' A:GCQ891 3.4 57.2 1.0 NH1 A:ARG293 3.6 87.9 1.0 CD A:ARG293 3.6 86.7 1.0 O2 A:GCQ891 3.7 60.1 1.0 C5 A:GCQ891 4.2 59.6 1.0 CZ A:ARG293 4.2 87.9 1.0 NE A:ARG293 4.2 87.6 1.0 C5' A:GCQ891 4.2 55.4 1.0 CD2 A:LEU427 4.2 33.9 1.0 N3 A:GCQ891 4.3 60.6 1.0 C4 A:GCQ891 4.6 60.7 1.0 CG A:ARG293 4.7 86.3 1.0 O5' A:GCQ891 4.8 55.0 1.0 CB A:ARG293 5.0 86.3 1.0

H.Xu, C.Faber, T.Uchiki, J.Racca, C.Dealwis. Structures of Eukaryotic Ribonucleotide Reductase I Define Gemcitabine Diphosphate Binding and Subunit Assembly. Proc.Natl.Acad.Sci.Usa V. 103 4028 2006.
ISSN: ISSN 0027-8424
PubMed: 16537480
DOI: 10.1073/PNAS.0600440103