Atomistry » Fluorine » PDB 4whr-4x7i » 4wtg
Atomistry »
  Fluorine »
    PDB 4whr-4x7i »
      4wtg »

Fluorine in PDB 4wtg: Crystal Structure of Hcv NS5B Genotype 2A Jfh-1 Isolate with S15G E86Q E87Q C223H V321I Mutations and DELTA8 Beta Hairpin Loop Deletion in Complex with Sofosbuvir Diphosphate Gs-607596, MN2+ and Symmetrical Primer Template 5'-Caaaauuu

Enzymatic activity of Crystal Structure of Hcv NS5B Genotype 2A Jfh-1 Isolate with S15G E86Q E87Q C223H V321I Mutations and DELTA8 Beta Hairpin Loop Deletion in Complex with Sofosbuvir Diphosphate Gs-607596, MN2+ and Symmetrical Primer Template 5'-Caaaauuu

All present enzymatic activity of Crystal Structure of Hcv NS5B Genotype 2A Jfh-1 Isolate with S15G E86Q E87Q C223H V321I Mutations and DELTA8 Beta Hairpin Loop Deletion in Complex with Sofosbuvir Diphosphate Gs-607596, MN2+ and Symmetrical Primer Template 5'-Caaaauuu:
2.7.7.48;

Protein crystallography data

The structure of Crystal Structure of Hcv NS5B Genotype 2A Jfh-1 Isolate with S15G E86Q E87Q C223H V321I Mutations and DELTA8 Beta Hairpin Loop Deletion in Complex with Sofosbuvir Diphosphate Gs-607596, MN2+ and Symmetrical Primer Template 5'-Caaaauuu, PDB code: 4wtg was solved by T.E.Edwards, T.C.Appleby, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.90
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 140.440, 140.440, 91.620, 90.00, 90.00, 120.00
R / Rfree (%) 17.9 / 23.2

Other elements in 4wtg:

The structure of Crystal Structure of Hcv NS5B Genotype 2A Jfh-1 Isolate with S15G E86Q E87Q C223H V321I Mutations and DELTA8 Beta Hairpin Loop Deletion in Complex with Sofosbuvir Diphosphate Gs-607596, MN2+ and Symmetrical Primer Template 5'-Caaaauuu also contains other interesting chemical elements:

Manganese (Mn) 3 atoms
Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Hcv NS5B Genotype 2A Jfh-1 Isolate with S15G E86Q E87Q C223H V321I Mutations and DELTA8 Beta Hairpin Loop Deletion in Complex with Sofosbuvir Diphosphate Gs-607596, MN2+ and Symmetrical Primer Template 5'-Caaaauuu (pdb code 4wtg). 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 Genotype 2A Jfh-1 Isolate with S15G E86Q E87Q C223H V321I Mutations and DELTA8 Beta Hairpin Loop Deletion in Complex with Sofosbuvir Diphosphate Gs-607596, MN2+ and Symmetrical Primer Template 5'-Caaaauuu, PDB code: 4wtg:

Fluorine binding site 1 out of 1 in 4wtg

Go back to Fluorine Binding Sites List in 4wtg
Fluorine binding site 1 out of 1 in the Crystal Structure of Hcv NS5B Genotype 2A Jfh-1 Isolate with S15G E86Q E87Q C223H V321I Mutations and DELTA8 Beta Hairpin Loop Deletion in Complex with Sofosbuvir Diphosphate Gs-607596, MN2+ and Symmetrical Primer Template 5'-Caaaauuu


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 Genotype 2A Jfh-1 Isolate with S15G E86Q E87Q C223H V321I Mutations and DELTA8 Beta Hairpin Loop Deletion in Complex with Sofosbuvir Diphosphate Gs-607596, MN2+ and Symmetrical Primer Template 5'-Caaaauuu within 5.0Å range:
probe atom residue distance (Å) B Occ
P:F602

b:88.3
occ:1.00
F P:6GS602 0.0 88.3 1.0
C2' P:6GS602 1.3 79.6 1.0
C2M P:6GS602 2.3 88.8 1.0
C1' P:6GS602 2.3 75.3 1.0
C3' P:6GS602 2.3 74.9 1.0
O3' P:6GS602 2.8 72.8 1.0
C4' P:6GS602 2.9 73.2 1.0
O4' P:6GS602 3.0 75.4 1.0
ND2 A:ASN291 3.1 53.2 1.0
CB A:ASP225 3.2 57.7 1.0
N1 P:6GS602 3.5 75.4 1.0
CG A:ASP225 3.9 65.1 1.0
CA A:ASP225 4.0 52.2 1.0
OD2 A:ASP225 4.0 65.2 1.0
O2 P:6GS602 4.0 71.9 1.0
CG2 A:THR287 4.1 45.8 1.0
N A:ASP225 4.1 50.7 1.0
CG A:ASN291 4.2 47.9 1.0
C2 P:6GS602 4.2 75.0 1.0
C5' P:6GS602 4.3 69.3 1.0
OD1 A:ASN291 4.4 50.2 1.0
C6 P:6GS602 4.4 75.7 1.0
CG A:ARG280 4.6 44.1 1.0
OD1 A:ASP225 4.9 74.6 1.0
CD1 A:PHE224 4.9 46.7 1.0

Reference:

T.C.Appleby, J.Perry, E.Murakami, O.Barauskas, J.Feng, A.Cho, D.Fox Iii, D.R.Wetmore, M.E.Mcgrath, A.S.Ray, M.J.Sofia, S.Swaminathan, T.E.Edwards. Structural Basis For Rna Replication By the Hepatitis C Virus Polymerase To Be Published.
Page generated: Thu Aug 1 06:32:23 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy