Fluorine in PDB 3nbq: Human Uridine Phosphorylase 1 (HUPP1) with 5-Fluorouracil

All present enzymatic activity of Human Uridine Phosphorylase 1 (HUPP1) with 5-Fluorouracil:
2.4.2.3;

The structure of Human Uridine Phosphorylase 1 (HUPP1) with 5-Fluorouracil, PDB code: 3nbq was solved by T.P.Roosild, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.44 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.317, 85.281, 260.581, 90.00, 90.00, 90.00
R / Rfree (%)	22.2 / 27.7

The binding sites of Fluorine atom in the Human Uridine Phosphorylase 1 (HUPP1) with 5-Fluorouracil (pdb code 3nbq). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Human Uridine Phosphorylase 1 (HUPP1) with 5-Fluorouracil, PDB code: 3nbq:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Human Uridine Phosphorylase 1 (HUPP1) with 5-Fluorouracil


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human Uridine Phosphorylase 1 (HUPP1) with 5-Fluorouracil within 5.0Å range: probe atom residue distance (Å) B Occ A:F400 b:21.1 occ:1.00 F5 A:URF400 0.0 21.1 1.0 C5 A:URF400 1.3 19.8 1.0 C4 A:URF400 2.3 20.0 1.0 C6 A:URF400 2.4 19.8 1.0 O4 A:URF400 2.6 22.9 1.0 O A:SER142 3.3 20.8 1.0 CD1 A:ILE281 3.5 30.4 1.0 CD2 A:LEU273 3.5 12.3 1.0 C A:SER142 3.6 20.5 1.0 N3 A:URF400 3.6 17.7 1.0 N1 A:URF400 3.7 18.6 1.0 CB A:LEU272 3.7 21.2 1.0 CD1 A:LEU272 3.7 19.9 1.0 N A:GLY143 3.8 21.4 1.0 CA A:GLY143 4.0 22.7 1.0 CG A:LEU272 4.0 20.2 1.0 C2 A:URF400 4.1 18.1 1.0 CG1 A:ILE281 4.2 31.2 1.0 NH2 A:ARG219 4.3 20.8 1.0 CA A:SER142 4.4 20.2 1.0 N A:SER142 4.4 20.1 1.0 CE1 A:PHE213 4.6 15.5 1.0 N A:LEU272 4.6 21.4 1.0 CZ A:PHE213 4.6 17.4 1.0 CA A:LEU272 4.7 21.2 1.0 O B:HOH318 4.7 28.9 1.0

Fluorine binding site 2 out of 4 in the Human Uridine Phosphorylase 1 (HUPP1) with 5-Fluorouracil


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human Uridine Phosphorylase 1 (HUPP1) with 5-Fluorouracil within 5.0Å range: probe atom residue distance (Å) B Occ B:F400 b:25.7 occ:1.00 F5 B:URF400 0.0 25.7 1.0 C5 B:URF400 1.4 22.1 1.0 C4 B:URF400 2.4 23.0 1.0 C6 B:URF400 2.4 23.3 1.0 O4 B:URF400 2.6 24.1 1.0 O B:SER142 3.2 25.3 1.0 CD1 B:ILE281 3.3 37.4 1.0 CD2 B:LEU273 3.4 27.3 1.0 C B:SER142 3.5 25.0 1.0 N3 B:URF400 3.7 22.4 1.0 N1 B:URF400 3.7 22.5 1.0 N B:GLY143 3.8 25.8 1.0 CD1 B:LEU272 3.8 27.7 1.0 CB B:LEU272 3.9 29.2 1.0 CA B:GLY143 4.0 27.0 1.0 CG B:LEU272 4.1 28.9 1.0 C2 B:URF400 4.2 20.8 1.0 CG1 B:ILE281 4.2 38.3 1.0 CA B:SER142 4.3 24.6 1.0 NH2 B:ARG219 4.4 21.6 1.0 N B:SER142 4.5 24.1 1.0 CE1 B:PHE213 4.6 21.4 1.0 N B:LEU272 4.6 28.8 1.0 CZ B:PHE213 4.7 24.5 1.0 CA B:LEU272 4.8 28.9 1.0 CG B:LEU273 4.9 28.5 1.0 O B:HOH314 4.9 21.1 1.0

Fluorine binding site 3 out of 4 in the Human Uridine Phosphorylase 1 (HUPP1) with 5-Fluorouracil


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Human Uridine Phosphorylase 1 (HUPP1) with 5-Fluorouracil within 5.0Å range: probe atom residue distance (Å) B Occ C:F400 b:29.6 occ:1.00 F5 C:URF400 0.0 29.6 1.0 C5 C:URF400 1.3 26.3 1.0 C4 C:URF400 2.3 26.0 1.0 C6 C:URF400 2.4 24.5 1.0 O4 C:URF400 2.6 25.9 1.0 O C:SER142 3.3 25.8 1.0 CD1 C:ILE281 3.4 43.8 1.0 C C:SER142 3.6 26.2 1.0 CD2 C:LEU273 3.6 30.6 1.0 N3 C:URF400 3.6 25.8 1.0 N1 C:URF400 3.6 25.5 1.0 CD1 C:LEU272 3.7 27.7 1.0 N C:GLY143 3.8 26.8 1.0 CB C:LEU272 3.9 29.0 1.0 CG C:LEU272 4.0 29.0 1.0 CA C:GLY143 4.0 27.1 1.0 C2 C:URF400 4.1 26.6 1.0 CG1 C:ILE281 4.2 43.8 1.0 NH2 C:ARG219 4.3 29.0 1.0 CA C:SER142 4.5 26.1 1.0 N C:SER142 4.6 26.8 1.0 CE1 C:PHE213 4.6 30.8 1.0 CZ C:PHE213 4.7 31.7 1.0 N C:LEU272 4.7 29.8 1.0 CA C:LEU272 4.8 29.4 1.0

Fluorine binding site 4 out of 4 in the Human Uridine Phosphorylase 1 (HUPP1) with 5-Fluorouracil


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Human Uridine Phosphorylase 1 (HUPP1) with 5-Fluorouracil within 5.0Å range: probe atom residue distance (Å) B Occ D:F400 b:26.4 occ:1.00 F5 D:URF400 0.0 26.4 1.0 C5 D:URF400 1.4 26.3 1.0 C4 D:URF400 2.4 27.5 1.0 C6 D:URF400 2.4 26.0 1.0 O4 D:URF400 2.7 28.8 1.0 CD1 D:ILE281 3.2 47.5 1.0 O D:SER142 3.3 29.7 1.0 CD2 D:LEU273 3.5 30.2 1.0 C D:SER142 3.6 29.1 1.0 N3 D:URF400 3.7 27.2 1.0 N1 D:URF400 3.7 25.8 1.0 N D:GLY143 3.8 29.4 1.0 CD1 D:LEU272 3.8 29.8 1.0 CB D:LEU272 3.9 29.8 1.0 CA D:GLY143 4.0 28.8 1.0 CG1 D:ILE281 4.1 47.9 1.0 NH2 D:ARG219 4.1 31.8 1.0 CG D:LEU272 4.2 29.9 1.0 C2 D:URF400 4.2 26.2 1.0 CA D:SER142 4.4 29.4 1.0 N D:SER142 4.6 29.4 1.0 CE1 D:PHE213 4.6 26.8 1.0 CZ D:PHE213 4.7 28.1 1.0 O D:HOH317 4.8 40.5 1.0 N D:LEU272 4.8 29.1 1.0 CA D:LEU272 4.9 30.0 1.0 CG D:LEU273 4.9 30.6 1.0

T.P.Roosild, S.Castronovo. Active Site Conformational Dynamics in Human Uridine Phosphorylase 1. Plos One V. 5 12741 2010.
ISSN: ESSN 1932-6203
PubMed: 20856879
DOI: 10.1371/JOURNAL.PONE.0012741