BMRB Entry 19383

Name: NMR Structure of the Complete Internal Fusion Loop mutant I544A from Ebolavirus GP2 at pH 5.5
Published: 2014-04-07

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PDB ID: 2mb1
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19383
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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:

NMR Structure of the Complete Internal Fusion Loop mutant I544A from Ebolavirus GP2 at pH 5.5

Deposition date:

2013-07-22

Original release date:

2014-04-07

Authors:

Tamm, Lukas; Gregory, Sonia

Citation:

Citation: Gregory, Sonia; Larsson, Per; Nelson, Elizabeth; Kasson, Peter; White, Judith; Tamm, Lukas. "Ebolavirus Entry Requires a Compact Hydrophobic Fist at the Tip of the Fusion Loop." J. Virol. ., .-. (2014).
PubMed: 24696482

Assembly members:

Assembly members:
entity, polymer, 54 residues, 5905.660 Da.

Natural source:

Natural source: Common Name: Ebolavirus Taxonomy ID: 186536 Superkingdom: Viruses Kingdom: not available Genus/species: Ebolavirus Zaire ebolavirus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET41a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: AQPKCNPNLHYWTTQDEGAA IGLAWIPYFGPAAEGIYAEG LMHNQDGLICGLRQ

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	190
15N chemical shifts	47
1H chemical shifts	333

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 54 residues - 5905.660 Da.

all disulfide bound

1

ALA

GLN

PRO

LYS

CYS

ASN

PRO

ASN

LEU

HIS

2

TYR

TRP

THR

GLN

ASP

GLU

GLY

ALA

3

ILE

GLY

LEU

ALA

TRP

ILE

PRO

TYR

PHE

GLY

4

PRO

ALA

GLU

GLY

ILE

TYR

ALA

GLU

GLY

5

LEU

MET

HIS

ASN

GLN

ASP

GLY

LEU

ILE

CYS

6

GLY

LEU

ARG

GLN

Samples:

sample_1: I544A Ebov FL, [U-99% 13C; U-99% 15N], 600 uM; potassium phosphate 30 mM; sodium chloride 50 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 5.5; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1

Software:

CNS, Brunger A. T. et.al. - refinement

NMR spectrometers:

Bruker Avance 600 MHz

BMRB	17638 17639 19052
PDB	2LCY 2LCZ 2M5F 2MB1 3CSY
GB	AAA96744 AAB37095 AAB81004 AAC54887 AAC57989
REF	NP_066246
SP	O11457 P87666 Q05320
AlphaFold	O11457 P87666 Q05320