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Fluorine in PDB 3uob: Crystal Structure of Human Thymine Dna Glycosylase Bound to Substrate Analog 2'-Deoxy-2'-Beta-Fluoro-Cytidine

Enzymatic activity of Crystal Structure of Human Thymine Dna Glycosylase Bound to Substrate Analog 2'-Deoxy-2'-Beta-Fluoro-Cytidine

All present enzymatic activity of Crystal Structure of Human Thymine Dna Glycosylase Bound to Substrate Analog 2'-Deoxy-2'-Beta-Fluoro-Cytidine:
3.2.2.29;

Protein crystallography data

The structure of Crystal Structure of Human Thymine Dna Glycosylase Bound to Substrate Analog 2'-Deoxy-2'-Beta-Fluoro-Cytidine, PDB code: 3uob was solved by L.Zhang, C.He, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.73 / 3.01
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 163.418, 163.418, 54.701, 90.00, 90.00, 120.00
R / Rfree (%) 21.9 / 27.6

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Human Thymine Dna Glycosylase Bound to Substrate Analog 2'-Deoxy-2'-Beta-Fluoro-Cytidine (pdb code 3uob). 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 Human Thymine Dna Glycosylase Bound to Substrate Analog 2'-Deoxy-2'-Beta-Fluoro-Cytidine, PDB code: 3uob:

Fluorine binding site 1 out of 1 in 3uob

Go back to Fluorine Binding Sites List in 3uob
Fluorine binding site 1 out of 1 in the Crystal Structure of Human Thymine Dna Glycosylase Bound to Substrate Analog 2'-Deoxy-2'-Beta-Fluoro-Cytidine


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 Human Thymine Dna Glycosylase Bound to Substrate Analog 2'-Deoxy-2'-Beta-Fluoro-Cytidine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F11

b:87.5
occ:1.00
 F24 D:1FC11 0.0 87.5 1.0
C2' D:1FC11 1.4 86.3 1.0
C1' D:1FC11 2.4 78.2 1.0
C3' D:1FC11 2.5 87.2 1.0
CD1 A:ILE139 2.7 70.4 1.0
N1 D:1FC11 2.9 80.1 1.0
O2 D:1FC11 3.2 84.5 1.0
OG A:SER271 3.2 83.4 1.0
C2 D:1FC11 3.3 82.7 1.0
O4' D:1FC11 3.3 79.2 1.0
C4' D:1FC11 3.5 82.0 1.0
O3' D:1FC11 3.6 86.3 1.0
CB A:SER273 3.8 85.2 1.0
C6 D:1FC11 3.9 83.0 1.0
CG1 A:ILE139 4.2 79.7 1.0
N A:SER273 4.4 85.3 1.0
C5' D:1FC11 4.4 85.2 1.0
N3 D:1FC11 4.4 78.2 1.0
O5' D:DG12 4.5 93.0 1.0
CB A:SER271 4.6 79.1 1.0
CA A:SER273 4.6 82.4 1.0
OG A:SER273 4.6 83.3 1.0
P D:DG12 4.7 88.4 1.0
N A:SER272 4.9 77.9 1.0
C5 D:1FC11 4.9 81.7 1.0
C5' D:DG12 5.0 89.2 1.0

Reference:

L.Zhang, X.Lu, J.Lu, H.Liang, Q.Dai, G.L.Xu, C.Luo, H.Jiang, C.He. Thymine Dna Glycosylase Specifically Recognizes 5-Carboxylcytosine-Modified Dna. Nat.Chem.Biol. V. 8 328 2012.
ISSN: ISSN 1552-4450
PubMed: 22327402
DOI: 10.1038/NCHEMBIO.914
Page generated: Sun Dec 13 11:56:34 2020

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