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 / R_free (%)*	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

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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: Wed Jul 10 17:38:00 2024

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