BMRB Entry 36600

Name: Vaccinia Virus J5 ectodomain
Published: 2025-12-15

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PDB ID: 8wt5
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36600
MolProbity Validation Chart

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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:

Vaccinia Virus J5 ectodomain

Deposition date:

2023-10-18

Original release date:

2025-12-15

Authors:

Carillo, K.; Tzou, D.

Citation:

Citation: Carillo, K.; Tzou, D.. "Solution NMR Structure of Vaccinia Virus Protein J5 (2 - 68 a.a)" .

Assembly members:

Assembly members:
Protein J5, polymer, 67 residues, 7792.966 Da.

Natural source:

Natural source: Common Name: Vaccinia virus Western Reserve Taxonomy ID: 696871 Superkingdom: Viruses Kingdom: Bamfordvirae Genus/species: Orthopoxvirus vaccinia

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Protein J5: TDEQIYAFCDANKDDIRCKC IYPDKSIVRIGIDTRLPYYC WYEPCKRSDALLPASLKKNI TKCNVSD

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	182
15N chemical shifts	61
1H chemical shifts	61

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 67 residues - 7792.966 Da.

1

THR

ASP

GLU

GLN

ILE

TYR

ALA

PHE

CYS

ASP

2

ALA

ASN

LYS

ASP

ILE

ARG

CYS

LYS

CYS

3

ILE

TYR

PRO

ASP

LYS

SER

ILE

VAL

ARG

ILE

4

GLY

ILE

ASP

THR

ARG

LEU

PRO

TYR

CYS

5

TRP

TYR

GLU

PRO

CYS

LYS

ARG

SER

ASP

ALA

6

LEU

PRO

ALA

SER

LEU

LYS

ASN

ILE

7

THR

LYS

CYS

ASN

VAL

SER

ASP

Samples:

sample_1: Vaccinia Virus Protein J5, [U-100% 13C; U-100% 15N], 0.5 mM; potassium chloride 2.7 mM; sodium chloride 137 mM; disodium phosphate 10 mM; potassium dihydrogen phosphate 1.8 mM; H2O 90.0%; D2O, [U-2H], 10.0%

sample_conditions_1: ionic strength: 8.1 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HCCH-COSY	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D HN(COCA)CB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1

Software:

CARA v1.8.4, Keller and Wuthrich - chemical shift assignment

TopSpin v4.3.0, Bruker Biospin - processing

TopSpin v4.3.0, Bruker Biospin - collection

X-PLOR NIH v3.7, Schwieters, Kuszewski, Tjandra and Clore - structure calculation

X-PLOR NIH v3.7, Schwieters, Kuszewski, Tjandra and Clore - refinement

Amber, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

CARA v1.8.4, Keller and Wuthrich - peak picking

NMR spectrometers:

Bruker BRUKER AVANCE III 600 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks