BMRB Entry 25181

Name: Three-Dimensional Structure and Interaction Studies of Hepatitis C Virus p7 in 1,2-Dihexanoyl-sn-glycero-3-phosphocholine by Solution Nuclear Magnetic Resonance
Published: 2014-10-07

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PDB ID: 2mts
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25181
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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Three-Dimensional Structure and Interaction Studies of Hepatitis C Virus p7 in 1,2-Dihexanoyl-sn-glycero-3-phosphocholine by Solution Nuclear Magnetic Resonance

Deposition date:

2014-08-29

Original release date:

2014-10-07

Authors:

Cook, Gabriel; Dawson, Lindsay; Tian, Ye; Opella, Stanley

Citation:

Citation: Cook, Gabriel; Dawson, Lindsay; Tian, Ye; Opella, Stanley. "Three-dimensional structure and interaction studies of hepatitis C virus p7 in 1,2-dihexanoyl-sn-glycero-3-phosphocholine by solution nuclear magnetic resonance." Biochemistry 52, 5295-5303 (2013).
PubMed: 23841474

Assembly members:

Assembly members:
entity, polymer, 63 residues, 6693.997 Da.

Natural source:

Natural source: Common Name: Hepatitis C virus Taxonomy ID: 420174 Superkingdom: Viruses Kingdom: not available Genus/species: Hepacivirus Hepatitis C virus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pHLV

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: ALENLVVLNAASVAGAHGIL SFLVFFSAAWYIKGRLAPGA AYAFYGVWPLLLLLLALPPR AYA

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	61
1H chemical shifts	58
15N chemical shifts	58

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity	1

Entities:

Entity 1, entity 63 residues - 6693.997 Da.

1

ALA

LEU

GLU

ASN

LEU

VAL

LEU

ASN

ALA

2

ALA

SER

VAL

ALA

GLY

ALA

HIS

GLY

ILE

LEU

3

SER

PHE

LEU

VAL

PHE

SER

ALA

TRP

4

TYR

ILE

LYS

GLY

ARG

LEU

ALA

PRO

GLY

ALA

5

ALA

TYR

ALA

PHE

TYR

GLY

VAL

TRP

PRO

LEU

6

LEU

ALA

LEU

PRO

ARG

7

ALA

TYR

ALA

Samples:

sample_1: p7, [U-100% 13C; U-100% 15N], 0.5 mM; H2O 90%; DHPC 125 mM; D2O 10%

sample_2: p7, [U-100% 15N], 0.5 mM; DHPC 125 mM; D2O 10%; H2O 90%; polyacrylamide gel 6%

sample_conditions_1: temperature: 323 K; pH: 4.0; pressure: 1 atm

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D 1H-15N HSQC NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY, Goddard - chemical shift assignment

CS-Rosetta, Shen, Vernon, Baker and Bax - structure solution

X-PLOR_NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement

NMR spectrometers:

Bruker Avance 600 MHz

BMRB	18863 25178
PDB	2MTS 3ZD0
DBJ	BAA01583 BAA02756
EMBL	CAA43792
GB	AAC15722 AAC15723 AAC15724 AAC15725 AAC15726
SP	O92972
AlphaFold	O92972