BMRB Entry 19875

Name: Backbone resonance assignments of the pyrin domain of human Pyrin
Published: 2014-07-14

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PDB ID: 2mpc
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19875
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Backbone resonance assignments of the pyrin domain of human Pyrin

Deposition date:

2014-03-26

Original release date:

2014-07-14

Authors:

Soh, Stephanie; Smith, Sarah; Hill, Justine

Citation:

Citation: Vajjhala, Parimala; Kaiser, Sebastian; Smith, Sarah; Ong, Qi-Rui; Soh, Stephanie; Stacey, Katryn; Hill, Justine. "Identification of multifaceted binding modes for pyrin and ASC pyrin domains gives insights into pyrin inflammasome assembly" J. Biol. Chem. 289, 23504-23519 (2014).
PubMed: 25006247

Assembly members:

Assembly members:
Pyrin, polymer, 100 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: pET-28b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Pyrin: MAKTPSDHLLSTLEELVPYD FEKFKFKLQNTSVQKEHSRI PRSQIQRARPVKMATLLVTY YGEEYAVQLTLQVLRAINQR LLAEELHRAAIQLEHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	297
15N chemical shifts	93
1H chemical shifts	194

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Pyrin	1

Entities:

Entity 1, Pyrin 100 residues - Formula weight is not available

1	MET	ALA	LYS	THR	PRO	SER	ASP	HIS	LEU	LEU
2	SER	THR	LEU	GLU	GLU	LEU	VAL	PRO	TYR	ASP
3	PHE	GLU	LYS	PHE	LYS	PHE	LYS	LEU	GLN	ASN
4	THR	SER	VAL	GLN	LYS	GLU	HIS	SER	ARG	ILE
5	PRO	ARG	SER	GLN	ILE	GLN	ARG	ALA	ARG	PRO
6	VAL	LYS	MET	ALA	THR	LEU	LEU	VAL	THR	TYR
7	TYR	GLY	GLU	GLU	TYR	ALA	VAL	GLN	LEU	THR
8	LEU	GLN	VAL	LEU	ARG	ALA	ILE	ASN	GLN	ARG
9	LEU	LEU	ALA	GLU	GLU	LEU	HIS	ARG	ALA	ALA
10	ILE	GLN	LEU	GLU	HIS	HIS	HIS	HIS	HIS	HIS

Samples:

sample_1: Pyrin, [U-100% 13C; U-100% 15N], 0.8 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 150 mM; pH: 4.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN, Bruker Biospin, CCPN, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - collection, data analysis, processing

NMR spectrometers:

Bruker Avance 750 MHz
Bruker Avance 900 MHz

1	MET	ALA	LYS	THR	PRO	SER	ASP	HIS	LEU	LEU
2	SER	THR	LEU	GLU	GLU	LEU	VAL	PRO	TYR	ASP
3	PHE	GLU	LYS	PHE	LYS	PHE	LYS	LEU	GLN	ASN
4	THR	SER	VAL	GLN	LYS	GLU	HIS	SER	ARG	ILE
5	PRO	ARG	SER	GLN	ILE	GLN	ARG	ALA	ARG	PRO
6	VAL	LYS	MET	ALA	THR	LEU	LEU	VAL	THR	TYR
7	TYR	GLY	GLU	GLU	TYR	ALA	VAL	GLN	LEU	THR
8	LEU	GLN	VAL	LEU	ARG	ALA	ILE	ASN	GLN	ARG
9	LEU	LEU	ALA	GLU	GLU	LEU	HIS	ARG	ALA	ALA
10	ILE	GLN	LEU	GLU	HIS	HIS	HIS	HIS	HIS	HIS

1	MET	ALA	LYS	THR	PRO	SER	ASP	HIS	LEU	LEU
2	SER	THR	LEU	GLU	GLU	LEU	VAL	PRO	TYR	ASP
3	PHE	GLU	LYS	PHE	LYS	PHE	LYS	LEU	GLN	ASN
4	THR	SER	VAL	GLN	LYS	GLU	HIS	SER	ARG	ILE
5	PRO	ARG	SER	GLN	ILE	GLN	ARG	ALA	ARG	PRO
6	VAL	LYS	MET	ALA	THR	LEU	LEU	VAL	THR	TYR
7	TYR	GLY	GLU	GLU	TYR	ALA	VAL	GLN	LEU	THR
8	LEU	GLN	VAL	LEU	ARG	ALA	ILE	ASN	GLN	ARG
9	LEU	LEU	ALA	GLU	GLU	LEU	HIS	ARG	ALA	ALA
10	ILE	GLN	LEU	GLU	HIS	HIS	HIS	HIS	HIS	HIS