BMRB Entry 16670

Name: NMR structure of the apoptosis- and inflammation-related NALP1 pyrin domain
Published: 2010-01-19

Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16670

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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 apoptosis- and inflammation-related NALP1 pyrin domain

Deposition date:

2010-01-08

Original release date:

2010-01-19

Authors:

Hiller, Sebastian; Kohl, Andreas; Fiorito, Francesco; Herrmann, Torsten; Wider, Gerhard; Tschopp, Jurg; Grutter, Markus; Wuthrich, Kurt

Citation:

Citation: Hiller, Sebastian; Kohl, Andreas; Fiorito, Francesco; Herrmann, Torsten; Wider, Gerhard; Tschopp, Jurg; Grutter, Markus; Wuthrich, Kurt. "NMR structure of the apoptosis- and inflammation-related NALP1 pyrin domain" Structure 11, 1190-1205 (2003).
PubMed: 14527388

Assembly members:

Assembly members:
NALP1_PYD, polymer, 97 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: peT20b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
NALP1_PYD: MAGGAWGRLACYLEFLKKEE LKEFQLLLANKAHSRSSSGE TPAQPEKTSGMEVASYLVAQ YGEQRAWDLALHTWEQMGLR SLCAQAQEGAGHSLEHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	285
15N chemical shifts	102
1H chemical shifts	600

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	NALP1_PYD	1

Entities:

Entity 1, NALP1_PYD 97 residues - Formula weight is not available

1

MET

ALA

GLY

ALA

TRP

GLY

ARG

LEU

ALA

2

CYS

TYR

LEU

GLU

PHE

LEU

LYS

GLU

3

LEU

LYS

GLU

PHE

GLN

LEU

ALA

ASN

4

LYS

ALA

HIS

SER

ARG

SER

GLY

GLU

5

THR

PRO

ALA

GLN

PRO

GLU

LYS

THR

SER

GLY

6

MET

GLU

VAL

ALA

SER

TYR

LEU

VAL

ALA

GLN

7

TYR

GLY

GLU

GLN

ARG

ALA

TRP

ASP

LEU

ALA

8

LEU

HIS

THR

TRP

GLU

GLN

MET

GLY

LEU

ARG

9

SER

LEU

CYS

ALA

GLN

ALA

GLN

GLU

GLY

ALA

10

GLY

HIS

SER

LEU

GLU

HIS

Samples:

sample_1: NALP1_PYD, [U-99% 13C; U-99% 15N], 1 mM; sodium phosphate 50 mM; sodium chloride 50 mM; DTT, [U-100% 2H], 20 mM; CHAPS 1 mM; sodium azide 0.02%; EDTA 0.1 mM; H2O 95%; D2O 5%

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCA	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 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1

Software:

xwinnmr, Bruker Biospin - collection

NMR spectrometers:

Bruker Avance 750 MHz

PDB	1PN5 1PN5
SWS	Q9C000
UNP	Q9C000
DBJ	BAA76770 BAG11260
GB	AAG15254 AAG30288 AAH51787 AAK00748 AAK00749
REF	NP_001028225 NP_055737 NP_127497 NP_127499 NP_127500
SP	Q9C000
AlphaFold	Q9Y2E0 Q9C000