BMRB Entry 25943

Name: 3D NMR solution structure of NLRP3 PYD
Published: 2016-07-25

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PDB ID: 2naq
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25943
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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:

3D NMR solution structure of NLRP3 PYD

Deposition date:

2016-01-07

Original release date:

2016-07-25

Authors:

de Alba, Eva; Oroz, Javier

Citation:

Citation: Oroz, Javier; Barrera-Vilarmau, Susana; Alfonso, Carlos; Rivas, German; de Alba, Eva. "Asc pyrin domain self-associates and binds nlrp3 using Equivalent binding interfaces" J. Biol. Chem. 291, 19487-19501 (2016).
PubMed: 27432880

Assembly members:

Assembly members:
entity, polymer, 91 residues, 10643.387 Da.

Natural source:

Natural source: Common Name: humans Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-15b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: MASTRCKLARYLEDLEDVDL KKFKMHLEDYPPQKGCIPLP RGQTEKADHVDLATLMIDFN GEEKAWAMAVWIFAAINRRD LYEKAKRDEPK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	289
15N chemical shifts	84
1H chemical shifts	614

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 91 residues - 10643.387 Da.

1

MET

ALA

SER

THR

ARG

CYS

LYS

LEU

ALA

ARG

2

TYR

LEU

GLU

ASP

LEU

GLU

ASP

VAL

ASP

LEU

3

LYS

PHE

LYS

MET

HIS

LEU

GLU

ASP

TYR

4

PRO

GLN

LYS

GLY

CYS

ILE

PRO

LEU

PRO

5

ARG

GLY

GLN

THR

GLU

LYS

ALA

ASP

HIS

VAL

6

ASP

LEU

ALA

THR

LEU

MET

ILE

ASP

PHE

ASN

7

GLY

GLU

LYS

ALA

TRP

ALA

MET

ALA

VAL

8

TRP

ILE

PHE

ALA

ILE

ASN

ARG

ASP

9

LEU

TYR

GLU

LYS

ALA

LYS

ARG

ASP

GLU

PRO

10

LYS

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	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
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1

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

BMRB Entry 25943

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers: