Fluorine in PDB 3ufj: Human Thymine Dna Glycosylase Bound to Substrate Analog 2'-Fluoro-2'- Deoxyuridine

All present enzymatic activity of Human Thymine Dna Glycosylase Bound to Substrate Analog 2'-Fluoro-2'- Deoxyuridine:
3.2.2.29;

The structure of Human Thymine Dna Glycosylase Bound to Substrate Analog 2'-Fluoro-2'- Deoxyuridine, PDB code: 3ufj was solved by E.Pozharski, A.Maiti, A.C.Drohat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.63 / 2.97
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	162.537, 162.537, 54.959, 90.00, 90.00, 120.00
R / Rfree (%)	26.3 / 30.4

The binding sites of Fluorine atom in the Human Thymine Dna Glycosylase Bound to Substrate Analog 2'-Fluoro-2'- Deoxyuridine (pdb code 3ufj). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Human Thymine Dna Glycosylase Bound to Substrate Analog 2'-Fluoro-2'- Deoxyuridine, PDB code: 3ufj:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Human Thymine Dna Glycosylase Bound to Substrate Analog 2'-Fluoro-2'- Deoxyuridine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human Thymine Dna Glycosylase Bound to Substrate Analog 2'-Fluoro-2'- Deoxyuridine within 5.0Å range: probe atom residue distance (Å) B Occ D:F11 b:84.2 occ:0.56 F2' D:UF211 0.0 84.2 0.6 C2' D:UF211 1.4 75.4 0.6 C1' D:UF211 2.3 76.6 0.6 C3' D:UF211 2.4 77.6 0.6 N1 D:UF211 2.6 75.5 0.6 C2 D:UF211 3.2 74.0 0.6 O4' D:UF211 3.2 78.0 0.6 C6 D:UF211 3.3 77.2 0.6 C4' D:UF211 3.4 71.7 0.6 O3' D:UF211 3.4 83.9 0.6 O2 D:UF211 3.5 77.3 0.6 CB A:SER273 3.8 0.7 1.0 O5' D:UF211 3.8 74.9 0.6 N3 D:UF211 4.2 74.2 0.6 C5 D:UF211 4.2 77.8 0.6 CE1 A:TYR152 4.2 85.0 1.0 C5' D:UF211 4.2 68.5 0.6 OD1 A:ASN157 4.3 0.0 1.0 CD1 A:ILE139 4.4 71.6 1.0 CD1 A:TYR152 4.6 83.6 1.0 CA A:SER273 4.6 91.3 1.0 C4 D:UF211 4.7 77.6 0.6 OG A:SER273 4.7 0.8 1.0 N A:SER273 4.7 86.1 1.0 OG A:SER271 4.8 90.2 1.0 O A:ASN140 4.8 75.2 1.0 P D:DG12 4.9 81.4 0.6

Fluorine binding site 2 out of 2 in the Human Thymine Dna Glycosylase Bound to Substrate Analog 2'-Fluoro-2'- Deoxyuridine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human Thymine Dna Glycosylase Bound to Substrate Analog 2'-Fluoro-2'- Deoxyuridine within 5.0Å range: probe atom residue distance (Å) B Occ F:F11 b:71.3 occ:0.44 F2' F:UF211 0.0 71.3 0.4 C2' F:UF211 1.4 62.8 0.4 C1' F:UF211 2.2 60.2 0.4 C3' F:UF211 2.4 62.4 0.4 N1 F:UF211 2.4 62.0 0.4 C2 F:UF211 3.0 70.1 0.4 O4' F:UF211 3.1 57.2 0.4 C6 F:UF211 3.1 62.6 0.4 O2 F:UF211 3.3 74.0 0.4 C4' F:UF211 3.4 57.5 0.4 O3' F:UF211 3.5 61.0 0.4 O5' F:UF211 3.8 61.7 0.4 N3 F:UF211 4.0 70.9 0.4 CE1 B:TYR152 4.0 91.1 1.0 CB B:SER273 4.0 97.3 1.0 C5 F:UF211 4.1 62.0 0.4 C5' F:UF211 4.2 56.0 0.4 CD1 B:TYR152 4.4 95.5 1.0 CD1 B:ILE139 4.4 68.4 1.0 C4 F:UF211 4.5 66.1 0.4 CA B:SER273 4.5 97.9 1.0 N B:SER273 4.6 98.2 1.0 OG B:SER273 4.6 94.8 1.0 ND2 B:ASN230 4.8 84.7 1.0 O B:ASN140 4.9 77.5 1.0 ND2 B:ASN157 4.9 0.9 1.0 P F:DG12 4.9 66.8 0.4 OG B:SER271 4.9 0.6 1.0

A.Maiti, M.S.Noon, A.D.Mackerell, E.Pozharski, A.C.Drohat. Lesion Processing By A Repair Enzyme Is Severely Curtailed By Residues Needed to Prevent Aberrant Activity on Undamaged Dna. Proc.Natl.Acad.Sci.Usa V. 109 8091 2012.
ISSN: ISSN 0027-8424
PubMed: 22573813
DOI: 10.1073/PNAS.1201010109