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Bromine in PDB 1yvf: Hepatitis C Virus NS5B Rna-Dependent Rna Polymerase Complex with Inhibitor Pha-00729145

Enzymatic activity of Hepatitis C Virus NS5B Rna-Dependent Rna Polymerase Complex with Inhibitor Pha-00729145

All present enzymatic activity of Hepatitis C Virus NS5B Rna-Dependent Rna Polymerase Complex with Inhibitor Pha-00729145:
2.7.7.48;

Protein crystallography data

The structure of Hepatitis C Virus NS5B Rna-Dependent Rna Polymerase Complex with Inhibitor Pha-00729145, PDB code: 1yvf was solved by J.A.Pfefferkorn, M.L.Greene, R.A.Nugent, R.J.Gross, M.A.Mitchell, B.C.Finzel, M.S.Harris, P.A.Wells, J.A.Shelly, R.A.Anstadt, R.E.Kilkuskie, L.A.Kopta, F.J.Schwende, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.50
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 90.879, 90.879, 188.516, 90.00, 90.00, 120.00
R / Rfree (%) 24 / 30.3

Other elements in 1yvf:

The structure of Hepatitis C Virus NS5B Rna-Dependent Rna Polymerase Complex with Inhibitor Pha-00729145 also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the Hepatitis C Virus NS5B Rna-Dependent Rna Polymerase Complex with Inhibitor Pha-00729145 (pdb code 1yvf). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Hepatitis C Virus NS5B Rna-Dependent Rna Polymerase Complex with Inhibitor Pha-00729145, PDB code: 1yvf:

Bromine binding site 1 out of 1 in 1yvf

Go back to Bromine Binding Sites List in 1yvf
Bromine binding site 1 out of 1 in the Hepatitis C Virus NS5B Rna-Dependent Rna Polymerase Complex with Inhibitor Pha-00729145


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Hepatitis C Virus NS5B Rna-Dependent Rna Polymerase Complex with Inhibitor Pha-00729145 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br800

b:59.5
occ:1.00
BRA2 A:PH7800 0.0 59.5 1.0
CA2 A:PH7800 1.9 47.8 1.0
CA1 A:PH7800 2.8 46.6 1.0
CA3 A:PH7800 2.9 47.2 1.0
OAB A:PH7800 3.0 46.3 1.0
OH A:TYR448 3.4 52.4 1.0
CB6 A:PH7800 3.7 44.3 1.0
N A:PRO197 3.7 48.6 1.0
CA A:PRO197 3.8 48.1 1.0
O A:HOH801 3.9 41.0 1.0
CD A:ARG200 4.0 38.4 1.0
CB5 A:PH7800 4.0 44.5 1.0
C A:SER196 4.1 47.3 1.0
CG A:PRO197 4.1 49.4 1.0
CD A:PRO197 4.1 48.5 1.0
CA6 A:PH7800 4.1 47.3 1.0
CA4 A:PH7800 4.2 46.5 1.0
O A:TYR195 4.2 45.3 1.0
CZ A:TYR448 4.3 51.4 1.0
CB A:ARG200 4.3 47.0 1.0
O A:SER196 4.4 47.7 1.0
CE2 A:TYR448 4.4 49.9 1.0
SD A:MET414 4.5 53.7 1.0
CB A:PRO197 4.5 49.3 1.0
CB4 A:PH7800 4.6 43.3 1.0
CA5 A:PH7800 4.7 46.4 1.0
CA A:SER196 4.7 46.7 1.0
CE A:MET414 4.7 50.1 1.0
CG A:ARG200 4.8 42.7 1.0
CE2 A:PHE551 4.8 56.9 1.0
C A:TYR195 4.9 44.0 1.0

Reference:

J.A.Pfefferkorn, M.L.Greene, R.A.Nugent, R.J.Gross, M.A.Mitchell, B.C.Finzel, M.S.Harris, P.A.Wells, J.A.Shelly, R.A.Anstadt, R.E.Kilkuskie, L.A.Kopta, F.J.Schwende. Inhibitors of Hcv NS5B Polymerase. Part 1: Evaluation of the Southern Region of (2Z)-2-(Benzoylamino)-3-(5-Phenyl-2-Furyl)Acrylic Acid. Bioorg.Med.Chem.Lett. V. 15 2481 2005.
ISSN: ISSN 0960-894X
PubMed: 15863301
DOI: 10.1016/J.BMCL.2005.03.066
Page generated: Sat Dec 12 02:04:48 2020

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