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Fluorine in PDB 2hai: Crystal Structure of Hcv NS5B Rna Polymerase in Complex with Novel Class of Dihydropyrone-Containing Inhibitor.

Enzymatic activity of Crystal Structure of Hcv NS5B Rna Polymerase in Complex with Novel Class of Dihydropyrone-Containing Inhibitor.

All present enzymatic activity of Crystal Structure of Hcv NS5B Rna Polymerase in Complex with Novel Class of Dihydropyrone-Containing Inhibitor.:
2.7.7.48;

Protein crystallography data

The structure of Crystal Structure of Hcv NS5B Rna Polymerase in Complex with Novel Class of Dihydropyrone-Containing Inhibitor., PDB code: 2hai was solved by H.Li, R.L.Love, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 22.00 / 1.58
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 83.255, 83.255, 179.830, 90.00, 90.00, 90.00
R / Rfree (%) 21.5 / 23.6

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Hcv NS5B Rna Polymerase in Complex with Novel Class of Dihydropyrone-Containing Inhibitor. (pdb code 2hai). 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 Hcv NS5B Rna Polymerase in Complex with Novel Class of Dihydropyrone-Containing Inhibitor., PDB code: 2hai:

Fluorine binding site 1 out of 1 in 2hai

Go back to Fluorine Binding Sites List in 2hai
Fluorine binding site 1 out of 1 in the Crystal Structure of Hcv NS5B Rna Polymerase in Complex with Novel Class of Dihydropyrone-Containing Inhibitor.


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 Hcv NS5B Rna Polymerase in Complex with Novel Class of Dihydropyrone-Containing Inhibitor. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:26.4
occ:1.00
F26 A:PFI601 0.0 26.4 1.0
C23 A:PFI601 1.3 24.4 1.0
C22 A:PFI601 2.4 24.4 1.0
C18 A:PFI601 2.4 25.0 1.0
O24 A:PFI601 2.7 25.2 1.0
O A:HOH653 3.2 27.1 1.0
CE A:MET423 3.2 20.4 1.0
SD A:MET423 3.2 21.0 1.0
CB A:LEU497 3.5 23.9 1.0
C2 A:PFI601 3.6 27.0 1.0
C21 A:PFI601 3.7 25.0 1.0
C19 A:PFI601 3.7 25.1 1.0
C25 A:PFI601 3.7 25.8 1.0
N A:LEU497 4.1 23.3 1.0
CA A:LEU497 4.1 23.8 1.0
C20 A:PFI601 4.2 24.8 1.0
CD1 A:LEU489 4.3 24.8 1.0
CD2 A:LEU419 4.3 24.4 1.0
CG A:LEU497 4.4 23.7 1.0
CD2 A:LEU497 4.6 23.8 1.0
CD1 A:LEU497 4.6 23.7 1.0
C1 A:PFI601 4.7 25.5 1.0
C12 A:PFI601 4.9 25.0 1.0

Reference:

H.Li, J.Tatlock, A.Linton, J.Gonzalez, A.Borchardt, P.Dragovich, T.Jewell, T.Prins, R.Zhou, J.Blazel, H.Parge, R.Love, M.Hickey, C.Doan, S.Shi, R.Duggal, C.Lewis, S.Fuhrman. Identification and Structure-Based Optimization of Novel Dihydropyrones As Potent Hcv Rna Polymerase Inhibitors. Bioorg.Med.Chem.Lett. V. 16 4834 2006.
ISSN: ISSN 0960-894X
PubMed: 16824756
DOI: 10.1016/J.BMCL.2006.06.065
Page generated: Wed Jul 31 14:41:45 2024

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