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Fluorine in PDB 4wrz: Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluorouracil (Ab), Form I

Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluorouracil (Ab), Form I

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluorouracil (Ab), Form I:
3.2.2.27;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluorouracil (Ab), Form I, PDB code: 4wrz was solved by S.M.Arif, K.Geethanandan, P.Mishra, A.Surolia, U.Varshney, M.Vijayan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.41 / 1.19
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 38.908, 63.626, 45.094, 90.00, 112.78, 90.00
R / Rfree (%) 11.9 / 14.8

Other elements in 4wrz:

The structure of Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluorouracil (Ab), Form I also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluorouracil (Ab), Form I (pdb code 4wrz). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluorouracil (Ab), Form I, PDB code: 4wrz:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 4wrz

Go back to Fluorine Binding Sites List in 4wrz
Fluorine binding site 1 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluorouracil (Ab), Form I


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 Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluorouracil (Ab), Form I within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F302

b:14.2
occ:0.50
 F5 A:URF302 0.0 14.2 0.5
N1 A:URF302 1.0 8.8 0.5
C5 A:URF302 1.3 12.3 0.5
C6 A:URF302 1.9 9.7 0.5
C2 A:URF302 2.1 7.0 0.5
C4 A:URF302 2.3 9.2 0.5
C6 A:URF302 2.3 13.0 0.5
O2 A:URF302 2.6 6.3 0.5
O4 A:URF302 2.7 11.4 0.5
CD2 A:TYR70 2.8 7.6 1.0
CE2 A:TYR70 2.8 7.5 1.0
CZ A:TYR70 2.9 7.7 1.0
CG A:TYR70 2.9 7.9 1.0
CD1 A:TYR70 2.9 8.3 1.0
CE1 A:TYR70 2.9 8.2 1.0
O A:HOH612 3.1 9.7 1.0
C5 A:URF302 3.2 11.3 0.5
N3 A:URF302 3.3 8.8 0.5
N A:TYR70 3.4 7.5 1.0
N3 A:URF302 3.4 7.4 0.5
N1 A:URF302 3.5 9.6 0.5
CA A:PHE81 3.7 6.7 1.0
N A:PHE81 3.7 6.4 1.0
OH A:TYR70 3.7 8.5 1.0
C4 A:URF302 3.8 8.8 0.5
CA A:TYR70 3.8 8.5 1.0
CB A:TYR70 3.8 9.1 1.0
C2 A:URF302 3.9 7.6 0.5
C A:PRO69 4.2 7.3 1.0
CD1 A:PHE81 4.2 7.8 1.0
F5 A:URF302 4.3 11.5 0.5
O A:ASP68 4.4 7.3 1.0
C A:PHE81 4.5 7.2 1.0
CA A:PRO69 4.6 7.0 1.0
CG A:PHE81 4.6 7.6 1.0
CB A:PHE81 4.7 8.1 1.0
CE1 A:PHE81 4.8 8.4 1.0
O A:HOH603 4.8 8.6 1.0
O A:PHE81 4.9 7.5 1.0
C A:SER80 4.9 6.3 1.0

Fluorine binding site 2 out of 2 in 4wrz

Go back to Fluorine Binding Sites List in 4wrz
Fluorine binding site 2 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluorouracil (Ab), Form I


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 Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluorouracil (Ab), Form I within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F302

b:11.5
occ:0.50
 F5 A:URF302 0.0 11.5 0.5
N1 A:URF302 1.2 9.6 0.5
C5 A:URF302 1.3 11.3 0.5
C6 A:URF302 1.9 13.0 0.5
C6 A:URF302 2.3 9.7 0.5
C2 A:URF302 2.4 7.6 0.5
C4 A:URF302 2.4 8.8 0.5
O2 A:URF302 2.8 8.8 0.5
O A:HOH771 2.8 28.1 1.0
O4 A:URF302 2.9 8.5 0.5
CE1 A:HIS191 2.9 7.6 1.0
O A:HOH774 3.1 40.3 1.0
NE2 A:HIS191 3.1 7.6 1.0
C5 A:URF302 3.2 12.3 0.5
O A:HOH773 3.4 71.2 1.0
N1 A:URF302 3.5 8.8 0.5
N3 A:URF302 3.5 7.4 0.5
N3 A:URF302 3.6 8.8 0.5
CE1 A:PHE81 3.7 8.4 1.0
OG A:SER93 3.8 14.4 1.0
C4 A:URF302 3.9 9.2 0.5
O A:HOH536 4.0 40.0 1.0
C2 A:URF302 4.0 7.0 0.5
ND1 A:HIS191 4.2 7.8 1.0
F5 A:URF302 4.3 14.2 0.5
CB A:SER93 4.3 10.7 1.0
CD1 A:PHE81 4.4 7.8 1.0
O A:HOH772 4.4 29.5 1.0
CZ A:PHE81 4.4 7.7 1.0
CD2 A:HIS191 4.4 7.9 1.0
O A:ASP68 4.5 7.3 1.0
O A:HOH657 4.7 21.9 1.0
CE1 A:TYR70 4.9 8.2 1.0
CG A:HIS191 5.0 8.1 1.0

Reference:

S.M.Arif, K.Geethanandan, P.Mishra, A.Surolia, U.Varshney, M.Vijayan. Structural Plasticity in Mycobacterium Tuberculosis Uracil-Dna Glycosylase (Mtung) and Its Functional Implications. Acta Crystallogr.,Sect.D V. 71 1514 2015.
ISSN: ESSN 1399-0047
PubMed: 26143923
DOI: 10.1107/S1399004715009311
Page generated: Tue Jul 15 01:21:42 2025

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