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BMRB: 16263

2KM6

Backbone and sidechain 1H, 15N and 13C assignments of the NLRP7 Pyrin domain

Authors

Pinheiro, A., Ehart, A., Ebner, N., Schwarzenbacher, R., Peti, W.

Assembly

NLRP7 Pyd monomer

Entity

1. NLRP7 Pyd monomer (polymer, Thiol state: all free), 106 monomers, 12346.79 Da Detail

GHMTSPQLEW TLQTLLEQLN EDELKSFKSL LWAFPLEDVL QKTPWSEVEE ADGKKLAEIL VNTSSENWIR NATVNILEEM NLTELCKMAK AEMMEDGQLE HHHHHH

Formula weight

12346.79 Da

Source organism

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.5 %, Completeness: 87.9 %, Completeness (bb): 91.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.9 % (1114 of 1268)	90.3 % (595 of 659)	85.1 % (418 of 491)	85.6 % (101 of 118)
Backbone	91.0 % (573 of 630)	90.1 % (191 of 212)	92.4 % (291 of 315)	88.3 % (91 of 103)
Sidechain	86.0 % (637 of 741)	90.4 % (404 of 447)	79.9 % (223 of 279)	66.7 % (10 of 15)
Aromatic	28.1 % (27 of 96)	56.3 % (27 of 48)	0.0 % (0 of 44)	0.0 % (0 of 4)
Methyl	100.0 % (118 of 118)	100.0 % (59 of 59)	100.0 % (59 of 59)

1. NLRP7 Pyd

GHMTSPQLEW TLQTLLEQLN EDELKSFKSL LWAFPLEDVL QKTPWSEVEE ADGKKLAEIL VNTSSENWIR NATVNILEEM NLTELCKMAK AEMMEDGQLE HHHHHH

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	NLRP7 Pyd	[U-100% 15N]		1.0 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM
4	TCEP	natural abundance		0.25 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
7	NLRP7 Pyd	[U-100% 13C; U-100% 15N]		1.0 mM
8	sodium phosphate	natural abundance		20 mM
9	sodium chloride	natural abundance		50 mM
10	TCEP	natural abundance		0.25 mM
11	H2O	natural abundance		90 %
12	D2O	natural abundance		10 %

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
13	NLRP7 Pyd	natural abundance		1.0 mM
14	sodium phosphate	natural abundance		20 mM
15	sodium chloride	natural abundance		50 mM
16	TCEP	natural abundance		0.25 mM
17	H2O	natural abundance		90 %
18	D2O	natural abundance		10 %

LACS Plot; CA

Referencing offset: -0.15 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: -0.15 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: 0.26 ppm, Outliers: 2 Detail

LACS Plot; CO

Referencing offset: -0.17 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KM6, Strand ID: A Detail

Release date

2009-07-22

Citation

Backbone and sidechain (1)H, (15)N and (13)C assignments of the NLRP7 pyrin domain
de Sa Pinheiro, A., Ehart, A., Ebner, N., Proell, M., Schwarzenbacher, R., Peti, W.
Biomol. NMR Assign. (2009), 3, 207-209, PubMed 19888692 , DOI 10.1007/s12104-009-9176-2 , Abstract

Related entities 1. NLRP7 Pyd monomer, : 1 : 43 entities Detail

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance II - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	NLRP7 Pyd	[U-100% 15N]		1.0 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM
4	TCEP	natural abundance		0.25 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

2 3D HNCA

Instrument

Bruker Avance II - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
7	NLRP7 Pyd	[U-100% 13C; U-100% 15N]		1.0 mM
8	sodium phosphate	natural abundance		20 mM
9	sodium chloride	natural abundance		50 mM
10	TCEP	natural abundance		0.25 mM
11	H2O	natural abundance		90 %
12	D2O	natural abundance		10 %

3 3D HNCACB

Instrument

Bruker Avance II - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
7	NLRP7 Pyd	[U-100% 13C; U-100% 15N]		1.0 mM
8	sodium phosphate	natural abundance		20 mM
9	sodium chloride	natural abundance		50 mM
10	TCEP	natural abundance		0.25 mM
11	H2O	natural abundance		90 %
12	D2O	natural abundance		10 %

4 3D CBCA(CO)NH

Instrument

Bruker Avance II - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
7	NLRP7 Pyd	[U-100% 13C; U-100% 15N]		1.0 mM
8	sodium phosphate	natural abundance		20 mM
9	sodium chloride	natural abundance		50 mM
10	TCEP	natural abundance		0.25 mM
11	H2O	natural abundance		90 %
12	D2O	natural abundance		10 %

5 3D HNCO

Instrument

Bruker Avance II - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
7	NLRP7 Pyd	[U-100% 13C; U-100% 15N]		1.0 mM
8	sodium phosphate	natural abundance		20 mM
9	sodium chloride	natural abundance		50 mM
10	TCEP	natural abundance		0.25 mM
11	H2O	natural abundance		90 %
12	D2O	natural abundance		10 %

6 3D HNCACO

Instrument

Bruker Avance II - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
7	NLRP7 Pyd	[U-100% 13C; U-100% 15N]		1.0 mM
8	sodium phosphate	natural abundance		20 mM
9	sodium chloride	natural abundance		50 mM
10	TCEP	natural abundance		0.25 mM
11	H2O	natural abundance		90 %
12	D2O	natural abundance		10 %

7 3D HBHA(CO)NH

Instrument

Bruker Avance II - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
7	NLRP7 Pyd	[U-100% 13C; U-100% 15N]		1.0 mM
8	sodium phosphate	natural abundance		20 mM
9	sodium chloride	natural abundance		50 mM
10	TCEP	natural abundance		0.25 mM
11	H2O	natural abundance		90 %
12	D2O	natural abundance		10 %

8 3D C(CO)NH

Instrument

Bruker Avance II - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
7	NLRP7 Pyd	[U-100% 13C; U-100% 15N]		1.0 mM
8	sodium phosphate	natural abundance		20 mM
9	sodium chloride	natural abundance		50 mM
10	TCEP	natural abundance		0.25 mM
11	H2O	natural abundance		90 %
12	D2O	natural abundance		10 %

9 3D HCCH-TOCSY

Instrument

Bruker Avance II - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
7	NLRP7 Pyd	[U-100% 13C; U-100% 15N]		1.0 mM
8	sodium phosphate	natural abundance		20 mM
9	sodium chloride	natural abundance		50 mM
10	TCEP	natural abundance		0.25 mM
11	H2O	natural abundance		90 %
12	D2O	natural abundance		10 %

10 3D 1H-15N NOESY

Instrument

Bruker Avance II - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	NLRP7 Pyd	[U-100% 15N]		1.0 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM
4	TCEP	natural abundance		0.25 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

11 3D 1H-13C NOESY

Instrument

Bruker Avance II - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
7	NLRP7 Pyd	[U-100% 13C; U-100% 15N]		1.0 mM
8	sodium phosphate	natural abundance		20 mM
9	sodium chloride	natural abundance		50 mM
10	TCEP	natural abundance		0.25 mM
11	H2O	natural abundance		90 %
12	D2O	natural abundance		10 %

12 2D 1H-1H TOCSY

Instrument

Bruker Avance II - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
13	NLRP7 Pyd	natural abundance		1.0 mM
14	sodium phosphate	natural abundance		20 mM
15	sodium chloride	natural abundance		50 mM
16	TCEP	natural abundance		0.25 mM
17	H2O	natural abundance		90 %
18	D2O	natural abundance		10 %

13 2D 1H-1H NOESY

Instrument

Bruker Avance II - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
13	NLRP7 Pyd	natural abundance		1.0 mM
14	sodium phosphate	natural abundance		20 mM
15	sodium chloride	natural abundance		50 mM
16	TCEP	natural abundance		0.25 mM
17	H2O	natural abundance		90 %
18	D2O	natural abundance		10 %

14 2D DQF-COSY

Instrument

Bruker Avance II - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
13	NLRP7 Pyd	natural abundance		1.0 mM
14	sodium phosphate	natural abundance		20 mM
15	sodium chloride	natural abundance		50 mM
16	TCEP	natural abundance		0.25 mM
17	H2O	natural abundance		90 %
18	D2O	natural abundance		10 %

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