BMRB: 18863

The Solution Structure of Monomeric Hepatitis C Virus p7 Yields Potent Inhibitors of Virion Release

Authors

Thompson, G.S., Kalverda, A.P., Griffin, S.D.C., Foster, T.L., Sthompson, G., Kankanala, J., Thompson, J., Barker, A.M., Clarke, D., Noerenberg, M., Pearson, A.R., Rowlands, D.J., Homans, S.W., Harris, M., Foster, R.

Assembly

MS1

Entity

1. MS1 (polymer, Thiol state: all free), 86 monomers, 9059.423 Da Detail

GPLGSPEFAA MDYKDDDDKA LENLVVLNAA SVAGAHGILS FLVFFCAAWY IKGRLAPGAA YAFYGVWPLL LLLLALPPRA YAAAAS

Formula weight

9059.423 Da

Source organism

Hepacivirus C

Exptl. method

solution NMR

Refine. method

ARIA MEMBRANE CS ROSETTA

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 94.2 %, Completeness: 72.6 %, Completeness (bb): 83.9 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	72.6 % (701 of 966)	70.2 % (342 of 487)	71.1 % (281 of 395)	92.9 % (78 of 84)
Backbone	83.9 % (423 of 504)	85.0 % (147 of 173)	80.5 % (202 of 251)	92.5 % (74 of 80)
Sidechain	62.3 % (337 of 541)	62.1 % (195 of 314)	61.9 % (138 of 223)	100.0 % (4 of 4)
Aromatic	72.9 % (86 of 118)	72.9 % (43 of 59)	71.9 % (41 of 57)	100.0 % (2 of 2)
Methyl	72.1 % (88 of 122)	75.4 % (46 of 61)	68.9 % (42 of 61)

1. p7

GPLGSPEFAA MDYKDDDDKA LENLVVLNAA SVAGAHGILS FLVFFCAAWY IKGRLAPGAA YAFYGVWPLL LLLLALPPRA YAAAAS

Show sample condition

Sample #1

Solvent system methanol, Pressure 1.000 (±0.03) atm, Temperature 298.000 (±0.1) K, pH 0.000 (±1e-06), Details solvent was deuterated

#	Name	Isotope labeling	Type	Concentration
1	p7	[U-100% 13C; U-100% 15N]

Sample #2

Solvent system methanol, Pressure 1.000 (±0.03) atm, Temperature 298.000 (±0.1) K, pH 0.000 (±1e-06), Details solvent was deuterated

#	Name	Isotope labeling	Type	Concentration
2	p7	[U-100% 15N]

Sample #3

Solvent system methanol, Pressure 1.000 (±0.03) atm, Temperature 298.000 (±0.1) K, pH 0.000 (±1e-06), Details solvent was deuterated

#	Name	Isotope labeling	Type	Concentration
3	p7	natural abundance

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Protein Blocks Logo

Calculated from 20 models in PDB: 3ZD0, Strand ID: A Detail

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Release date

2013-08-25

Citation 1

Structure-guided design affirms inhibitors of hepatitis C virus p7 as a viable class of antivirals targeting virion release
Foster, T.L., Thompson, G.S., Kalverda, A.P., Kankanala, J., Bentham, M., Wetherill, L.F., Thompson, J., Barker, A.M., Clarke, D., Noerenberg, M., Pearson, A.R., Rowlands, D.J., Homans, S.W., Harris, M., Foster, R., Griffin, S.
Hepatology (2014), 59, 408-422, PubMed 24022996 , DOI 10.1002/hep.26685 , Abstract

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Citation 2

Structural and functional characterisation of the hepititis C virus proteins p7, NS2-3 and NS5A
Foster, T.L.

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Related entities 1. MS1, : 1 : 13 entities Detail

Experiments performed 23 experiments Detail