BMRB Entry 31198

Name: Pentameric Structure of MERS-CoV Envelope Protein Transmembrane Domain Determined by Solid-State NMR
Published: 2025-09-24

Click here to enlarge.

PDB ID: 9dcj
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR31198
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
All files associated with the entry

Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

Pentameric Structure of MERS-CoV Envelope Protein Transmembrane Domain Determined by Solid-State NMR

Deposition date:

2024-08-26

Original release date:

2025-09-24

Authors:

Sucec, I.; Hong, M.

Citation:

Citation: Sucec, I.; Hong, M.. "Structural Insights and Ion Conduction of the MERS-CoV Envelope Protein" .

Assembly members:

Assembly members:
entity_1, polymer, 38 residues, 4309.228 Da.

Natural source:

Natural source: Common Name: MERS-CoV, Betacoronavirus England 1 Taxonomy ID: 1263720 Superkingdom: Viruses Kingdom: not available Genus/species: Betacoronavirus MERS coronavirus

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MLPFVQERIGLFIVNFFIFT VVSAITLLVSMAFLTATR

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	140
15N chemical shifts	30

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1
2	unit_2	1
3	unit_3	1
4	unit_4	1
5	unit_5	1

Entities:

Entity 1, unit_1 38 residues - 4309.228 Da.

1

MET

LEU

PRO

PHE

VAL

GLN

GLU

ARG

ILE

GLY

2

LEU

PHE

ILE

VAL

ASN

PHE

ILE

PHE

THR

3

VAL

SER

ALA

ILE

THR

LEU

VAL

SER

4

MET

ALA

PHE

LEU

THR

ALA

THR

ARG

Samples:

sample_2: MERS-CoV E(1-38), [U-13C; U-15N], 0.11 mg/uL; POPC 0.21 mg/uL; POPE 0.09 mg/uL; POPS 0.1 mg/uL; cholesterol 0.04 mg/uL

sample_3: MERS-CoV E(1-38), [1,3-13C and 2-13C; 15N], 0.08 mg/uL; POPC 0.21 mg/uL; POPE 0.09 mg/uL; POPS 0.10 mg/uL; cholesterol 0.04 mg/uL

sample_4: MERS-CoV E(1-38), [U-99% 13C; U-99% 15N], 0.17 mg/uL; POPC 0.4 mg/uL; POPG 0.1 mg/uL

sample_5: MERS-CoV E(1-38), [1,3-13C; U-15N], 0.08 mg/uL; POPC 0.22 mg/uL; POPE 0.09 mg/uL; POPS 0.10 mg/uL; cholesterol 0.04 mg/uL

sample_6: MERS-CoV E(1-38), U-19F, 0.21 mg/uL; POPC 0.20 mg/uL; POPE 0.08 mg/uL; POPS 0.09 mg/uL; cholesterol 0.03 mg/uL

sample_7: MERS-CoV E(1-38), U-19F, 0.18 mg/uL; POPC 0.21 mg/uL; POPE 0.09 mg/uL; POPS 0.10 mg/uL; cholesterol 0.04 mg/uL

sample_8: MERS-CoV E(1-38), [U-13C; U-15N], 0.08 mg/uL; POPC 0.22 mg/uL; POPE 0.09 mg/uL; POPS 0.10 mg/uL; cholesterol 0.04 mg/uL

sample_conditions_2: ionic strength: 25 mM; pH: 7.4; pressure: 1021 mbar; temperature: 288 K

sample_conditions_3: ionic strength: 25 mM; pH: 7.4; pressure: 1021 mbar; temperature: 284 K

sample_conditions_4: ionic strength: 25 mM; pH: 7.4; pressure: 1021 mbar; temperature: 303 K

sample_conditions_5: ionic strength: 25 mM; pH: 7.4; pressure: 1021 mbar; temperature: 283 K

sample_conditions_6: ionic strength: 25 mM; pH: 7.4; pressure: 1021 mbar; temperature: 253 K

sample_conditions_7: ionic strength: 25 mM; pH: 7.4; pressure: 1021 mbar; temperature: 277 K

sample_conditions_8: ionic strength: 25 mM; pH: 7.4; pressure: 1021 mbar; temperature: 288 K

sample_conditions_9: ionic strength: 25 mM; pH: 7.4; pressure: 1021 mbar; temperature: 289 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 15N-13C specCP	sample_2	isotropic	sample_conditions_8
2D 13C-13C CORD	sample_2	isotropic	sample_conditions_2
3D NCaCx	sample_2	isotropic	sample_conditions_2
3D NCoCx	sample_2	isotropic	sample_conditions_2
3D CoNCa	sample_2	isotropic	sample_conditions_2
2D hNhhC	sample_3	isotropic	sample_conditions_7
CODEX	sample_6	isotropic	sample_conditions_6
2D HETCOR	sample_7	isotropic	sample_conditions_9
2D NC resolved NH DIPSHIFT	sample_4	isotropic	sample_conditions_4
2D CC CORD 300 ms	sample_3	isotropic	sample_conditions_3
3D CCC	sample_2	isotropic	sample_conditions_8
2D hNhhC	sample_8	isotropic	sample_conditions_7
2D CC CORD 300 ms	sample_5	isotropic	sample_conditions_3

Software:

CcpNmr Analysis vv3, CCPN - chemical shift assignment, data analysis

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

TopSpin, Bruker Biospin - collection

NMR spectrometers:

Bruker AVANCE II 800 MHz
Bruker AVANCE NEO 800 MHz
Bruker AVANCE III 600 MHz
Bruker AVANCE NEO 600 MHz