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Fluorine in PDB 4txn: Crystal Structure of Uridine Phosphorylase From Schistosoma Mansoni in Complex with 5-Fluorouracil

Enzymatic activity of Crystal Structure of Uridine Phosphorylase From Schistosoma Mansoni in Complex with 5-Fluorouracil

All present enzymatic activity of Crystal Structure of Uridine Phosphorylase From Schistosoma Mansoni in Complex with 5-Fluorouracil:
2.4.2.3;

Protein crystallography data

The structure of Crystal Structure of Uridine Phosphorylase From Schistosoma Mansoni in Complex with 5-Fluorouracil, PDB code: 4txn was solved by A.Marinho, J.Torini, L.Romanello, A.Cassago, R.Demarco, J.Brandao-Neto, H.M.Pereira, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.02 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 95.643, 107.488, 115.576, 90.00, 90.00, 90.00
R / Rfree (%) 17.2 / 20.7

Fluorine Binding Sites:

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

Fluorine binding site 1 out of 4 in 4txn

Go back to Fluorine Binding Sites List in 4txn
Fluorine binding site 1 out of 4 in the Crystal Structure of Uridine Phosphorylase From Schistosoma Mansoni in Complex 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 Crystal Structure of Uridine Phosphorylase From Schistosoma Mansoni in Complex with 5-Fluorouracil within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F302

b:18.0
occ:1.00
F5 A:URF302 0.0 18.0 1.0
C5 A:URF302 1.3 11.5 1.0
C4 A:URF302 2.4 15.4 1.0
C6 A:URF302 2.4 12.0 1.0
O4 A:URF302 2.8 17.2 1.0
O A:SER125 3.1 16.5 1.0
C A:SER125 3.4 15.6 1.0
CD1 A:ILE265 3.6 18.2 1.0
N1 A:URF302 3.6 15.3 1.0
N3 A:URF302 3.6 16.8 1.0
CB A:ALA256 3.6 16.4 1.0
N A:GLY126 3.7 14.2 1.0
CA A:GLY126 4.0 18.8 1.0
C2 A:URF302 4.0 15.0 1.0
CA A:SER125 4.1 15.8 1.0
N A:SER125 4.3 15.3 1.0
CG1 A:VAL257 4.3 23.6 1.0
CE1 A:PHE197 4.4 15.7 1.0
NH2 A:ARG203 4.4 15.6 1.0
N A:ALA256 4.5 18.1 1.0
CA A:ALA256 4.5 18.2 1.0
CG1 A:ILE265 4.6 18.2 1.0
CZ A:PHE197 4.6 16.4 1.0
O A:HOH464 4.7 29.9 1.0
C A:ALA256 4.9 19.2 1.0
N A:VAL257 4.9 19.0 1.0

Fluorine binding site 2 out of 4 in 4txn

Go back to Fluorine Binding Sites List in 4txn
Fluorine binding site 2 out of 4 in the Crystal Structure of Uridine Phosphorylase From Schistosoma Mansoni in Complex 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 Crystal Structure of Uridine Phosphorylase From Schistosoma Mansoni in Complex with 5-Fluorouracil within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F302

b:14.3
occ:1.00
F5 B:URF302 0.0 14.3 1.0
C5 B:URF302 1.3 12.9 1.0
C4 B:URF302 2.4 13.1 1.0
C6 B:URF302 2.4 14.0 1.0
O4 B:URF302 2.8 14.4 1.0
O B:SER125 3.2 15.1 1.0
C B:SER125 3.4 14.9 1.0
CD1 B:ILE265 3.5 11.3 1.0
N3 B:URF302 3.6 15.4 1.0
N1 B:URF302 3.6 14.4 1.0
N B:GLY126 3.7 12.0 1.0
CB B:ALA256 3.7 17.8 1.0
CA B:GLY126 3.9 12.9 1.0
C2 B:URF302 4.0 14.5 1.0
CG1 B:VAL257 4.1 11.5 1.0
NH2 B:ARG203 4.2 14.9 1.0
CA B:SER125 4.2 14.3 1.0
N B:SER125 4.3 12.8 1.0
CE1 B:PHE197 4.4 15.8 1.0
N B:ALA256 4.4 15.9 1.0
CG1 B:ILE265 4.5 16.6 1.0
CA B:ALA256 4.5 15.8 1.0
CZ B:PHE197 4.5 16.1 1.0
O A:HOH483 4.7 19.8 1.0
C B:ALA256 4.8 14.9 1.0
N B:VAL257 4.9 15.5 1.0

Fluorine binding site 3 out of 4 in 4txn

Go back to Fluorine Binding Sites List in 4txn
Fluorine binding site 3 out of 4 in the Crystal Structure of Uridine Phosphorylase From Schistosoma Mansoni in Complex 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 Crystal Structure of Uridine Phosphorylase From Schistosoma Mansoni in Complex with 5-Fluorouracil within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F302

b:16.4
occ:1.00
F5 C:URF302 0.0 16.4 1.0
C5 C:URF302 1.3 15.2 1.0
C4 C:URF302 2.4 14.9 1.0
C6 C:URF302 2.4 16.4 1.0
O4 C:URF302 2.8 14.7 1.0
O C:SER125 3.2 16.0 1.0
C C:SER125 3.4 15.4 1.0
CD1 C:ILE265 3.5 19.7 1.0
N1 C:URF302 3.6 13.8 1.0
N3 C:URF302 3.6 16.8 1.0
N C:GLY126 3.7 15.1 1.0
CB C:ALA256 3.8 16.9 1.0
CA C:GLY126 4.0 15.4 1.0
C2 C:URF302 4.0 15.5 1.0
CA C:SER125 4.1 16.4 1.0
CG1 C:VAL257 4.2 13.5 1.0
N C:SER125 4.3 14.8 1.0
NH2 C:ARG203 4.4 14.2 1.0
CE1 C:PHE197 4.5 15.7 1.0
N C:ALA256 4.5 15.1 1.0
CA C:ALA256 4.6 17.5 1.0
CG1 C:ILE265 4.6 20.1 1.0
CZ C:PHE197 4.6 14.2 1.0
C C:ALA256 4.9 18.0 1.0
O D:HOH662 4.9 18.2 1.0
N C:VAL257 5.0 15.5 1.0

Fluorine binding site 4 out of 4 in 4txn

Go back to Fluorine Binding Sites List in 4txn
Fluorine binding site 4 out of 4 in the Crystal Structure of Uridine Phosphorylase From Schistosoma Mansoni in Complex 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 Crystal Structure of Uridine Phosphorylase From Schistosoma Mansoni in Complex with 5-Fluorouracil within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F302

b:17.9
occ:1.00
F5 D:URF302 0.0 17.9 1.0
C5 D:URF302 1.3 16.4 1.0
C4 D:URF302 2.4 16.3 1.0
C6 D:URF302 2.4 14.5 1.0
O4 D:URF302 2.8 16.7 1.0
O D:SER125 3.0 17.9 1.0
C D:SER125 3.3 15.1 1.0
CB D:ALA256 3.6 16.7 1.0
N1 D:URF302 3.6 13.7 1.0
N3 D:URF302 3.6 15.8 1.0
CD1 D:ILE265 3.6 18.3 1.0
N D:GLY126 3.7 11.6 1.0
CA D:GLY126 4.0 16.9 1.0
C2 D:URF302 4.0 15.8 1.0
CA D:SER125 4.1 14.1 1.0
N D:SER125 4.2 15.8 1.0
CG1 D:VAL257 4.2 17.4 1.0
NH2 D:ARG203 4.4 11.9 1.0
CE1 D:PHE197 4.4 11.5 1.0
N D:ALA256 4.4 11.8 1.0
CA D:ALA256 4.5 17.5 1.0
CG1 D:ILE265 4.5 15.3 1.0
CZ D:PHE197 4.7 11.7 1.0
O D:HOH535 4.7 18.5 1.0
C D:ALA256 4.8 19.8 1.0
N D:VAL257 4.9 17.2 1.0

Reference:

A.M.Da Silva Neto, J.R.Torini De Souza, L.Romanello, A.Cassago, V.H.Serrao, R.Demarco, J.Brandao-Neto, R.C.Garratt, H.D.Pereira. Analysis of Two Schistosoma Mansoni Uridine Phosphorylases Isoforms Suggests the Emergence of A Protein with A Non-Canonical Function. Biochimie V. 125 12 2016.
ISSN: ISSN 0300-9084
PubMed: 26898674
DOI: 10.1016/J.BIOCHI.2016.02.007
Page generated: Sun Dec 13 12:12:38 2020

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