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BMRB: 50015

6YJ0

Assignment of Titin domain I83

Authors

Assembly

I83

Entity

1. I83 (polymer, Thiol state: all free), 106 monomers, 11900 Da Detail

GIDPFTAEPI QFTKRIQNIV VSEHQSATFE CEVSFDDAIV TWYKGPTELT ESQKYNFRND GRCHYMTIHN VTPDDEGVYS VIARLEPRGE ARSTAELKGE LRSGCX

Formula weight

11900.0 Da

Source organism

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.1 %, Completeness: 95.9 %, Completeness (bb): 97.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	95.9 % (1159 of 1208)	96.6 % (602 of 623)	95.7 % (449 of 469)	93.1 % (108 of 116)
Backbone	97.3 % (603 of 620)	97.6 % (207 of 212)	96.8 % (298 of 308)	98.0 % (98 of 100)
Sidechain	95.2 % (653 of 686)	96.1 % (395 of 411)	95.8 % (248 of 259)	62.5 % (10 of 16)
Aromatic	88.7 % (94 of 106)	92.5 % (49 of 53)	84.6 % (44 of 52)	100.0 % (1 of 1)
Methyl	100.0 % (102 of 102)	100.0 % (51 of 51)	100.0 % (51 of 51)

1. Titin

GIDPFTAEPI QFTKRIQNIV VSEHQSATFE CEVSFDDAIV TWYKGPTELT ESQKYNFRND GRCHYMTIHN VTPDDEGVYS VIARLEPRGE ARSTAELKGE LRSGCX

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7.20 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	I83	[U-98% 15N]		0.6 mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7.20 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	I83	[U-95% 13C; U-95% 15N]		0.8 mM

Release date

2019-09-11

Citation

Solution NMR Structure of Titin N2A Region Ig Domain I83 and Its Interaction with Metal Ions
Kelly, C., Pace, N., Gage, M., Pfuhl, M.
J. Mol. Biol. (2021), 433, 166977-166977, PubMed 33811919 , DOI 10.1016/j.jmb.2021.166977 , Abstract

Related entities 1. I83, : 1 : 3 : 280 entities Detail

Interaction partners 1. I83, : 5 interactors Detail

More details for 5 interactors identified by 4 citations

Experiments performed 12 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7.20 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	I83	[U-98% 15N]		0.6 mM

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7.20 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	I83	[U-95% 13C; U-95% 15N]		0.8 mM

3 2D 1H-13C HSQC aromatic

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7.20 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	I83	[U-95% 13C; U-95% 15N]		0.8 mM

4 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7.20 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	I83	[U-98% 15N]		0.6 mM

5 3D 1H-15N TOCSY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7.20 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	I83	[U-98% 15N]		0.6 mM

6 3D CBCA(CO)NH

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7.20 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	I83	[U-95% 13C; U-95% 15N]		0.8 mM

7 3D H(CCO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7.20 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	I83	[U-95% 13C; U-95% 15N]		0.8 mM

8 3D HNCO

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7.20 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	I83	[U-95% 13C; U-95% 15N]		0.8 mM

9 3D HNCACB

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7.20 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	I83	[U-95% 13C; U-95% 15N]		0.8 mM

10 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7.20 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	I83	[U-95% 13C; U-95% 15N]		0.8 mM

11 3D 1H-13C NOESY aromatic

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7.20 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	I83	[U-95% 13C; U-95% 15N]		0.8 mM

12 3D HCCH-TOCSY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7.20 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	I83	[U-95% 13C; U-95% 15N]		0.8 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr50015_3.str
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

Content subtype: bmr50015_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1270		99.1 (chain: 1, length: 106)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 106, Sequence coverage: 99.1%
- Total number of assignments
  - ¹H chemical shifts: 711
  - ¹³C chemical shifts: 452
  - ¹⁵N chemical shifts: 107
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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: 1