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BMRB: 7113

2KDG

Chemical Shift Assignments for the First Immunoglobulin Domain of Myotilin

Authors

Heikkinen, O.K., Kilpelainen, I., Permi, P., Ylanne, J., Koskela, H., Heikkinen, S.

Assembly

The First Immunoglobulin Domain of Myotilin (Residues 249-344)

Entity

1. The First Immunoglobulin Domain of Myotilin (Residues 249-344) (polymer, Thiol state: all free), 100 monomers, 10958.41 Da Detail

GAMGPPRFIQ VPENMSIDEG RFCRMDFKVS GLPAPDVSWY LNGRTVQSDD LHKMIVSEKG LHSLIFEVVR ASDAGAYACV AKNRAGEATF TVQLDVLAKE

Formula weight

10958.41 Da

Source organism

Exptl. method

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 94.3 %, Completeness (bb): 92.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	94.3 % (1067 of 1131)	98.6 % (577 of 585)	90.1 % (400 of 444)	88.2 % (90 of 102)
Backbone	92.4 % (545 of 590)	97.5 % (198 of 203)	90.4 % (264 of 292)	87.4 % (83 of 95)
Sidechain	96.7 % (612 of 633)	99.2 % (379 of 382)	92.6 % (226 of 244)	100.0 % (7 of 7)
Aromatic	82.6 % (71 of 86)	100.0 % (43 of 43)	64.3 % (27 of 42)	100.0 % (1 of 1)
Methyl	99.1 % (109 of 110)	100.0 % (55 of 55)	98.2 % (54 of 55)

1. The First Immunoglobulin Domain of Myotilin

GAMGPPRFIQ VPENMSIDEG RFCRMDFKVS GLPAPDVSWY LNGRTVQSDD LHKMIVSEKG LHSLIFEVVR ASDAGAYACV AKNRAGEATF TVQLDVLAKE

Show sample condition

Sample

Temperature 293 (±1) K, pH 6.7 (±0.05), Details 0.5 mM Myotilin 249-344; 20 mM Phosphate buffer, 140 mM NaCl, 1 mM DTT, pH 6.7; 90% H2O, 10 % D2O

#	Name	Isotope labeling	Type	Concentration
1	Myotilin_Ig1	[U-U-15N; U-13C]	protein	0.5 mM
2	Phosphate Buffer		buffer	20 mM
3	Sodium Chloride		salt	140 mM
4	Dithiothreitol		reducing agent	1 mM

LACS Plot; CA

Referencing offset: -0.08 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: -0.08 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: 0.13 ppm, Outliers: 1 Detail

LACS Plot; CO

Referencing offset: 0.64 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 25 models in PDB: 2KDG, Strand ID: A Detail

Release date

2009-05-26

Citation

Solution structure of the first immunoglobulin domain of human myotilin
Heikkinen, O.K., Permi, P., Koskela, H., Carpen, O., Ylanne, J., Kilpelainen, I.
J. Biomol. NMR (2009), 44, 107-112, PubMed 19418025 , DOI 10.1007/s10858-009-9320-4 , Abstract

Entries sharing articles Swiss-Prot: 1 entries Detail

Swiss-Prot: Q9UBF9 released on 2005-03-29
Title MYOTI_HUMAN Entity Myotilin

Related entities 1. The First Immunoglobulin Domain of Myotilin (Residues 249-344), : 1 : 2 : 1106 entities Detail

Interaction partners 1. The First Immunoglobulin Domain of Myotilin (Residues 249-344), : 7 interactors Detail

More details for 7 interactors identified by 6 citations

Experiments performed 14 experiments Detail

1 1H15N_HSQC

Instrument

Varian Unity - 800 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 6.7 (±0.05), Details 0.5 mM Myotilin 249-344; 20 mM Phosphate buffer, 140 mM NaCl, 1 mM DTT, pH 6.7; 90% H2O, 10 % D2O

#	Name	Isotope labeling	Type	Concentration
1	Myotilin_Ig1	[U-U-15N; U-13C]	protein	0.5 mM
2	Phosphate Buffer		buffer	20 mM
3	Sodium Chloride		salt	140 mM
4	Dithiothreitol		reducing agent	1 mM

2 1H13C_HSQC

Instrument

Varian Unity - 800 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 6.7 (±0.05), Details 0.5 mM Myotilin 249-344; 20 mM Phosphate buffer, 140 mM NaCl, 1 mM DTT, pH 6.7; 90% H2O, 10 % D2O

#	Name	Isotope labeling	Type	Concentration
1	Myotilin_Ig1	[U-U-15N; U-13C]	protein	0.5 mM
2	Phosphate Buffer		buffer	20 mM
3	Sodium Chloride		salt	140 mM
4	Dithiothreitol		reducing agent	1 mM

3 HNCA

Instrument

Varian Unity - 800 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 6.7 (±0.05), Details 0.5 mM Myotilin 249-344; 20 mM Phosphate buffer, 140 mM NaCl, 1 mM DTT, pH 6.7; 90% H2O, 10 % D2O

#	Name	Isotope labeling	Type	Concentration
1	Myotilin_Ig1	[U-U-15N; U-13C]	protein	0.5 mM
2	Phosphate Buffer		buffer	20 mM
3	Sodium Chloride		salt	140 mM
4	Dithiothreitol		reducing agent	1 mM

4 HNCACB

Instrument

Varian Unity - 800 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 6.7 (±0.05), Details 0.5 mM Myotilin 249-344; 20 mM Phosphate buffer, 140 mM NaCl, 1 mM DTT, pH 6.7; 90% H2O, 10 % D2O

#	Name	Isotope labeling	Type	Concentration
1	Myotilin_Ig1	[U-U-15N; U-13C]	protein	0.5 mM
2	Phosphate Buffer		buffer	20 mM
3	Sodium Chloride		salt	140 mM
4	Dithiothreitol		reducing agent	1 mM

5 HNCOCA

Instrument

Varian Unity - 800 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 6.7 (±0.05), Details 0.5 mM Myotilin 249-344; 20 mM Phosphate buffer, 140 mM NaCl, 1 mM DTT, pH 6.7; 90% H2O, 10 % D2O

#	Name	Isotope labeling	Type	Concentration
1	Myotilin_Ig1	[U-U-15N; U-13C]	protein	0.5 mM
2	Phosphate Buffer		buffer	20 mM
3	Sodium Chloride		salt	140 mM
4	Dithiothreitol		reducing agent	1 mM

6 HNCOCACB

Instrument

Varian Unity - 800 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 6.7 (±0.05), Details 0.5 mM Myotilin 249-344; 20 mM Phosphate buffer, 140 mM NaCl, 1 mM DTT, pH 6.7; 90% H2O, 10 % D2O

#	Name	Isotope labeling	Type	Concentration
1	Myotilin_Ig1	[U-U-15N; U-13C]	protein	0.5 mM
2	Phosphate Buffer		buffer	20 mM
3	Sodium Chloride		salt	140 mM
4	Dithiothreitol		reducing agent	1 mM

7 iHNCA

Instrument

Varian Unity - 800 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 6.7 (±0.05), Details 0.5 mM Myotilin 249-344; 20 mM Phosphate buffer, 140 mM NaCl, 1 mM DTT, pH 6.7; 90% H2O, 10 % D2O

#	Name	Isotope labeling	Type	Concentration
1	Myotilin_Ig1	[U-U-15N; U-13C]	protein	0.5 mM
2	Phosphate Buffer		buffer	20 mM
3	Sodium Chloride		salt	140 mM
4	Dithiothreitol		reducing agent	1 mM

8 CCCONH

Instrument

Varian Unity - 800 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 6.7 (±0.05), Details 0.5 mM Myotilin 249-344; 20 mM Phosphate buffer, 140 mM NaCl, 1 mM DTT, pH 6.7; 90% H2O, 10 % D2O

#	Name	Isotope labeling	Type	Concentration
1	Myotilin_Ig1	[U-U-15N; U-13C]	protein	0.5 mM
2	Phosphate Buffer		buffer	20 mM
3	Sodium Chloride		salt	140 mM
4	Dithiothreitol		reducing agent	1 mM

9 HCCCOHN

Instrument

Varian Unity - 800 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 6.7 (±0.05), Details 0.5 mM Myotilin 249-344; 20 mM Phosphate buffer, 140 mM NaCl, 1 mM DTT, pH 6.7; 90% H2O, 10 % D2O

#	Name	Isotope labeling	Type	Concentration
1	Myotilin_Ig1	[U-U-15N; U-13C]	protein	0.5 mM
2	Phosphate Buffer		buffer	20 mM
3	Sodium Chloride		salt	140 mM
4	Dithiothreitol		reducing agent	1 mM

10 HCCH-COSY

Instrument

Varian Unity - 800 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 6.7 (±0.05), Details 0.5 mM Myotilin 249-344; 20 mM Phosphate buffer, 140 mM NaCl, 1 mM DTT, pH 6.7; 90% H2O, 10 % D2O

#	Name	Isotope labeling	Type	Concentration
1	Myotilin_Ig1	[U-U-15N; U-13C]	protein	0.5 mM
2	Phosphate Buffer		buffer	20 mM
3	Sodium Chloride		salt	140 mM
4	Dithiothreitol		reducing agent	1 mM

11 1H13C_NOESY_HSQC

Instrument

Varian Unity - 800 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 6.7 (±0.05), Details 0.5 mM Myotilin 249-344; 20 mM Phosphate buffer, 140 mM NaCl, 1 mM DTT, pH 6.7; 90% H2O, 10 % D2O

#	Name	Isotope labeling	Type	Concentration
1	Myotilin_Ig1	[U-U-15N; U-13C]	protein	0.5 mM
2	Phosphate Buffer		buffer	20 mM
3	Sodium Chloride		salt	140 mM
4	Dithiothreitol		reducing agent	1 mM

12 1H15N_NOESY_HSQC

Instrument

Varian Unity - 800 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 6.7 (±0.05), Details 0.5 mM Myotilin 249-344; 20 mM Phosphate buffer, 140 mM NaCl, 1 mM DTT, pH 6.7; 90% H2O, 10 % D2O

#	Name	Isotope labeling	Type	Concentration
1	Myotilin_Ig1	[U-U-15N; U-13C]	protein	0.5 mM
2	Phosphate Buffer		buffer	20 mM
3	Sodium Chloride		salt	140 mM
4	Dithiothreitol		reducing agent	1 mM

13 HNCO

Instrument

Varian Unity - 800 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 6.7 (±0.05), Details 0.5 mM Myotilin 249-344; 20 mM Phosphate buffer, 140 mM NaCl, 1 mM DTT, pH 6.7; 90% H2O, 10 % D2O

#	Name	Isotope labeling	Type	Concentration
1	Myotilin_Ig1	[U-U-15N; U-13C]	protein	0.5 mM
2	Phosphate Buffer		buffer	20 mM
3	Sodium Chloride		salt	140 mM
4	Dithiothreitol		reducing agent	1 mM

14 HNCACO

Instrument

Varian Unity - 800 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 6.7 (±0.05), Details 0.5 mM Myotilin 249-344; 20 mM Phosphate buffer, 140 mM NaCl, 1 mM DTT, pH 6.7; 90% H2O, 10 % D2O

#	Name	Isotope labeling	Type	Concentration
1	Myotilin_Ig1	[U-U-15N; U-13C]	protein	0.5 mM
2	Phosphate Buffer		buffer	20 mM
3	Sodium Chloride		salt	140 mM
4	Dithiothreitol		reducing agent	1 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr7113_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: bmr7113_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	chem_shift_list_1	Warning	1181		100.0 (chain: 1, length: 100)
1	Chemical shift references	chemical_shift_referencing	OK	3		No information

Assigned chemical shifts

Saveframe: chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 100, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 692
  - ¹³C chemical shifts: 397
  - ¹⁵N chemical shifts: 92
- 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