BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	87.2 % (1094 of 1254)	84.6 % (564 of 667)	90.0 % (434 of 482)	91.4 % (96 of 105)
Backbone	96.1 % (571 of 594)	95.0 % (190 of 200)	96.6 % (287 of 297)	96.9 % (94 of 97)
Sidechain	80.6 % (610 of 757)	79.0 % (369 of 467)	84.8 % (239 of 282)	25.0 % (2 of 8)
Aromatic	62.5 % (35 of 56)	64.3 % (18 of 28)	57.7 % (15 of 26)	100.0 % (2 of 2)
Methyl	94.0 % (109 of 116)	96.6 % (56 of 58)	91.4 % (53 of 58)

1. mutant (T170E) second CARD of human RIG-I

GSHMKKIEKL EEYRLLLKRL QPEFKTRIIP TDIISDLSEC LINQECEEIL QICSTKGMMA GAEKLVECLL RSDKENWPKE LKLALEKERN KFSELWIVEK

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5, Details 15N labeled sample

#	Name	Isotope labeling	Concentration
1	card2_mutant	[U-100% 15N]	300 uM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %
4	Bis-Tris	natural abundance	50 mM
5	sodium chloride	natural abundance	250 mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5, Details 13C-15N labeled sample

#	Name	Isotope labeling	Concentration
6	card2_mutant	[U-100% 13C; U-100% 15N]	300 uM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %
9	Bis-Tris	natural abundance	50 mM
10	sodium chloride	natural abundance	250 mM

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5, Details 13C-15N labeled sample

#	Name	Isotope labeling	Concentration
11	card2_mutant	[U-100% 13C; U-100% 15N]	300 uM
12	D2O	natural abundance	100 %
13	Bis-Tris	natural abundance	50 mM
14	sodium chloride	natural abundance	250 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.37 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.37 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.01 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.16 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2012-10-18

Citation

Structure and dynamics of the second CARD of human RIG-I provide mechanistic insights into regulation of RIG-I activation
Ferrage, F., Dutta, K., Nistal-Villan, E., Patel, J.R., Sanchez-Aparicio, M.T., De Ioannes, P., Buku, A., Aseguinolaza, G., Garcia-Sastre, A., Aggarwal, A.K.
Structure (2012), 20, 2048-2061, PubMed 23063562 , DOI 10.1016/j.str.2012.09.003 , Abstract

Related entities 1. mutant (T170E) second CARD of human RIG-I, : 1 : 5 : 8 entities Detail

Interaction partners 1. mutant (T170E) second CARD of human RIG-I, : 32 interactors Detail

More details for 32 interactors identified by 23 citations

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz CryoProbe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5, Details 15N labeled sample

#	Name	Isotope labeling	Concentration
1	card2_mutant	[U-100% 15N]	300 uM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %
4	Bis-Tris	natural abundance	50 mM
5	sodium chloride	natural abundance	250 mM

2 3D HNCO

Instrument

Bruker Avance - 800 MHz CryoProbe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5, Details 13C-15N labeled sample

#	Name	Isotope labeling	Concentration
6	card2_mutant	[U-100% 13C; U-100% 15N]	300 uM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %
9	Bis-Tris	natural abundance	50 mM
10	sodium chloride	natural abundance	250 mM

3 3D HNCACB

Instrument

Bruker Avance - 800 MHz CryoProbe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5, Details 13C-15N labeled sample

#	Name	Isotope labeling	Concentration
6	card2_mutant	[U-100% 13C; U-100% 15N]	300 uM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %
9	Bis-Tris	natural abundance	50 mM
10	sodium chloride	natural abundance	250 mM

4 3D CBCA(CO)NH

Instrument

Bruker Avance - 800 MHz CryoProbe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5, Details 13C-15N labeled sample

#	Name	Isotope labeling	Concentration
6	card2_mutant	[U-100% 13C; U-100% 15N]	300 uM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %
9	Bis-Tris	natural abundance	50 mM
10	sodium chloride	natural abundance	250 mM

5 3D HBHA(CO)NH

Instrument

Bruker Avance - 800 MHz CryoProbe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5, Details 13C-15N labeled sample

#	Name	Isotope labeling	Concentration
6	card2_mutant	[U-100% 13C; U-100% 15N]	300 uM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %
9	Bis-Tris	natural abundance	50 mM
10	sodium chloride	natural abundance	250 mM

6 3D C(CO)NH

Instrument

Bruker Avance - 800 MHz CryoProbe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5, Details 13C-15N labeled sample

#	Name	Isotope labeling	Concentration
6	card2_mutant	[U-100% 13C; U-100% 15N]	300 uM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %
9	Bis-Tris	natural abundance	50 mM
10	sodium chloride	natural abundance	250 mM

7 3D H(CCO)NH

Instrument

Bruker Avance - 800 MHz CryoProbe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5, Details 13C-15N labeled sample

#	Name	Isotope labeling	Concentration
6	card2_mutant	[U-100% 13C; U-100% 15N]	300 uM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %
9	Bis-Tris	natural abundance	50 mM
10	sodium chloride	natural abundance	250 mM

8 3D 1H-15N NOESY

Instrument

Bruker Avance - 900 MHz CryoProbe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5, Details 13C-15N labeled sample

#	Name	Isotope labeling	Concentration
6	card2_mutant	[U-100% 13C; U-100% 15N]	300 uM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %
9	Bis-Tris	natural abundance	50 mM
10	sodium chloride	natural abundance	250 mM

9 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 900 MHz CryoProbe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5, Details 13C-15N labeled sample

#	Name	Isotope labeling	Concentration
11	card2_mutant	[U-100% 13C; U-100% 15N]	300 uM
12	D2O	natural abundance	100 %
13	Bis-Tris	natural abundance	50 mM
14	sodium chloride	natural abundance	250 mM

10 3D 1H-13C NOESY aromatic

Instrument

Bruker Avance - 800 MHz CryoProbe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5, Details 13C-15N labeled sample

#	Name	Isotope labeling	Concentration
11	card2_mutant	[U-100% 13C; U-100% 15N]	300 uM
12	D2O	natural abundance	100 %
13	Bis-Tris	natural abundance	50 mM
14	sodium chloride	natural abundance	250 mM

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_18623_2lwe.nef
Input source #2: Coordindates	2lwe.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

-------100-------110-------120-------130-------140-------150-------160-------170-------180-------190
GSHMKKIEKLEEYRLLLKRLQPEFKTRIIPTDIISDLSECLINQECEEILQICSTKGMMAGAEKLVECLLRSDKENWPKELKLALEKERNKFSELWIVEK
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GSHMKKIEKLEEYRLLLKRLQPEFKTRIIPTDIISDLSECLINQECEEILQICSTKGMMAGAEKLVECLLRSDKENWPKELKLALEKERNKFSELWIVEK
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	100	0	0	100.0

Content subtype: combined_18623_2lwe.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1086		98.0 (chain: A, length: 100)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	2347 (1)	noe	98.0 (chain: A, length: 100)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 100, Sequence coverage: 98.0%
- Total number of assignments
  - ¹H chemical shifts: 559
  - ¹³C chemical shifts: 431
  - ¹⁵N chemical shifts: 96
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- Peptide bond of PRO
- Tautomeric state of HIS
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	667	559	83.8
¹³C chemical shifts	482	431	89.4
¹⁵N chemical shifts	110	96	87.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	200	192	96.0
¹³C chemical shifts	200	192	96.0
¹⁵N chemical shifts	97	94	96.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	467	367	78.6
¹³C chemical shifts	282	239	84.8
¹⁵N chemical shifts	13	2	15.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	61	60	98.4
¹³C chemical shifts	61	56	91.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	28	18	64.3
¹³C chemical shifts	26	15	57.7
¹⁵N chemical shifts	2	2	100.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 100, Sequence coverage: 98.0%
- Total number of restraints: 2341
- Weight of restraints: 1.0 (2341)
- Potential type of restraints: square-well-parabolic (2341)
- Range of distance target values: 1.66, 5.95 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map

Keywords Protein

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Found 1 Document (1.155 seconds)

BMRB: 18623

Sample #1

Sample #2

Sample #3

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. mutant (T170E) second CARD of human RIG-I, : 1 : 5 : 8 entities Detail

Interaction partners 1. mutant (T170E) second CARD of human RIG-I, : 32 interactors Detail

Experiments performed 10 experiments Detail

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NMR combined restraints 3 contents Detail