Fluorine in PDB 8i69: Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluoroorotic Acid and Citric Acid, Form I

Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluoroorotic Acid and Citric Acid, Form I

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluoroorotic Acid and Citric Acid, Form I:
3.2.2.27;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluoroorotic Acid and Citric Acid, Form I, PDB code: 8i69 was solved by P.Raj, A.Paul, B.Gopal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 23.99 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 39.11, 64.14, 45.28, 90, 112.48, 90
R / Rfree (%) 17.4 / 22.5

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluoroorotic Acid and Citric Acid, Form I (pdb code 8i69). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluoroorotic Acid and Citric Acid, Form I, PDB code: 8i69:

Fluorine binding site 1 out of 1 in 8i69

Go back to Fluorine Binding Sites List in 8i69
Fluorine binding site 1 out of 1 in the Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluoroorotic Acid and Citric Acid, 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-Fluoroorotic Acid and Citric Acid, Form I within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:28.2
occ:1.00
 F5 A:FOT301 0.0 28.2 1.0
C5 A:FOT301 1.3 23.3 1.0
C6 A:FOT301 2.3 21.0 1.0
C4 A:FOT301 2.4 24.8 1.0
CD1 A:TYR70 2.7 15.1 1.0
O6 A:FOT301 2.7 19.4 1.0
CG A:TYR70 2.7 15.0 1.0
CE1 A:TYR70 2.9 14.9 1.0
C41 A:FOT301 2.9 27.7 1.0
CD2 A:TYR70 3.0 15.0 1.0
N A:TYR70 3.1 13.7 1.0
CZ A:TYR70 3.2 15.4 1.0
O A:HOH481 3.2 13.4 1.0
CE2 A:TYR70 3.2 15.1 1.0
O41 A:FOT301 3.4 30.9 1.0
CA A:TYR70 3.5 14.6 1.0
N1 A:FOT301 3.6 19.6 1.0
CB A:TYR70 3.6 14.7 1.0
O42 A:FOT301 3.6 28.2 1.0
N3 A:FOT301 3.6 23.3 1.0
C A:PRO69 3.8 13.4 1.0
OH A:TYR70 4.1 14.8 1.0
C2 A:FOT301 4.1 20.8 1.0
O A:ASP68 4.2 12.0 1.0
N A:PHE81 4.2 13.4 1.0
CA A:PHE81 4.2 13.8 1.0
CA A:PRO69 4.4 13.6 1.0
CD1 A:PHE81 4.5 14.2 1.0
O A:PRO69 4.6 13.7 1.0
OG A:SER93 4.8 16.3 0.4
CE1 A:PHE81 4.9 14.3 1.0
CG A:PHE81 4.9 14.5 1.0
C A:TYR70 5.0 14.8 1.0

Reference:

S.Kesharwani, P.Raj, A.Paul, K.Roy, A.Bhanot, A.Mehta, A.Gopal, U.Varshney, B.Gopal, S.Sundriyal. Crystal Structures of Non-Uracil Ring Fragments in Complex with Mycobacterium Tuberculosis Uracil Dna Glycosylase (Mtung) As A Starting Point For Novel Inhibitor Design: A Case Study with the Barbituric Acid Fragment Eur.J.Med.Chem. V. 258 15604 2023.
ISSN: ISSN 0223-5234
DOI: 10.1016/J.EJMECH.2023.115604
Page generated: Fri Aug 2 20:33:56 2024

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