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Fluorine in PDB 4ws0: Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluorouracil (A), Form II

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

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

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluorouracil (A), Form II, PDB code: 4ws0 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) 36.89 / 1.97
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 69.820, 43.670, 67.650, 90.00, 99.11, 90.00
R / Rfree (%) 16.5 / 21.8

Other elements in 4ws0:

The structure of Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluorouracil (A), Form II 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 (A), Form II (pdb code 4ws0). 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-Fluorouracil (A), Form II, PDB code: 4ws0:

Fluorine binding site 1 out of 1 in 4ws0

Go back to Fluorine Binding Sites List in 4ws0
Fluorine binding site 1 out of 1 in the Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluorouracil (A), Form II


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 (A), Form II within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:17.6
occ:1.00
 F5 A:URF301 0.0 17.6 1.0
C5 A:URF301 1.3 12.1 1.0
C4 A:URF301 2.3 11.7 1.0
C6 A:URF301 2.3 11.6 1.0
O4 A:URF301 2.6 11.5 1.0
CE1 A:TYR70 2.9 7.6 1.0
CZ A:TYR70 2.9 7.5 1.0
CD1 A:TYR70 2.9 7.6 1.0
CE2 A:TYR70 3.0 7.1 1.0
CG A:TYR70 3.0 8.1 1.0
CD2 A:TYR70 3.0 7.6 1.0
O A:HOH482 3.2 5.5 1.0
N3 A:URF301 3.5 10.9 1.0
N A:TYR70 3.5 8.7 1.0
N1 A:URF301 3.5 10.9 1.0
CA A:PHE81 3.6 7.4 1.0
N A:PHE81 3.6 7.3 1.0
OH A:TYR70 3.7 6.8 1.0
C2 A:URF301 4.0 10.6 1.0
CB A:TYR70 4.0 8.3 1.0
CD1 A:PHE81 4.1 7.0 1.0
CA A:TYR70 4.1 8.7 1.0
C A:PRO69 4.3 8.6 1.0
CG A:PHE81 4.4 7.0 1.0
O A:ASP68 4.4 9.9 1.0
C A:PHE81 4.5 7.5 1.0
CB A:PHE81 4.5 7.1 1.0
CA A:PRO69 4.6 9.3 1.0
CE1 A:PHE81 4.6 6.9 1.0
O A:PHE81 4.8 8.1 1.0
O A:HOH484 4.8 8.2 1.0
C A:SER80 4.8 7.3 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: Thu Aug 1 06:31:28 2024

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