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BMRB: 25308

2MWC

Chemical shift assignments of human obscurin Ig58

Authors

Wright, N.T., Meyer, L.C.

Assembly

obscurin Ig58

Entity

1. obscurin Ig58 (polymer, Thiol state: all free), 102 monomers, 11407.68 Da Detail

TAKNTVVRGL ENVEALEGGE ALFECQLSQP EVAAHTWLLD DEPVRTSENA EVVFFENGLR HLLLLKNLRP QDSCRVTFLA GDMVTSAFLT VRGGLEHHHH HH

Formula weight

11407.68 Da

Source organism

Exptl. method

Refine. method

DGSA-distance geometry simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.1 %, Completeness: 83.4 %, Completeness (bb): 93.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	83.4 % (966 of 1158)	83.0 % (492 of 593)	83.6 % (382 of 457)	85.2 % (92 of 108)
Backbone	93.7 % (568 of 606)	94.2 % (196 of 208)	93.6 % (280 of 299)	92.9 % (92 of 99)
Sidechain	75.4 % (488 of 647)	76.9 % (296 of 385)	75.9 % (192 of 253)	0.0 % (0 of 9)
Aromatic	0.0 % (0 of 94)	0.0 % (0 of 47)	0.0 % (0 of 46)	0.0 % (0 of 1)
Methyl	98.5 % (128 of 130)	100.0 % (65 of 65)	96.9 % (63 of 65)

1. Ig58

TAKNTVVRGL ENVEALEGGE ALFECQLSQP EVAAHTWLLD DEPVRTSENA EVVFFENGLR HLLLLKNLRP QDSCRVTFLA GDMVTSAFLT VRGGLEHHHH HH

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5, Details 20 mM Tris, pH 7.5, 50 mM NaCl, 0.3 mM NaN3, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Ig58	[U-99% 13C; U-99% 15N]		0.5 ~ 1.5 mM
2	Tris	natural abundance		20 mM
3	NaCl	natural abundance		50 mM
4	NaN3	natural abundance		0.3 mM
5	H20	natural abundance		90 %
6	D20	natural abundance		10 %

LACS Plot; CA

Referencing offset: -0.34 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: -0.34 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: -0.07 ppm, Outliers: 2 Detail

LACS Plot; CO

Referencing offset: 0.77 ppm, Outliers: 3 Detail

Protein Blocks Logo

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

Release date

2015-12-06

Citation

Obscurin Ig58 disrupts myocyte development
Wright, N.T., Meyer, L.C., Kontrogianni-Konstantopoulos, K.A., Ackermann, M.A., Hu, R.Y.
Not known

Related entities 1. obscurin Ig58, : 1 : 1 : 1 : 188 entities Detail

Interaction partners 1. obscurin Ig58, : 22 interactors Detail

More details for 22 interactors identified by 10 citations

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5, Details 20 mM Tris, pH 7.5, 50 mM NaCl, 0.3 mM NaN3, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Ig58	[U-99% 13C; U-99% 15N]		0.5 ~ 1.5 mM
2	Tris	natural abundance		20 mM
3	NaCl	natural abundance		50 mM
4	NaN3	natural abundance		0.3 mM
5	H20	natural abundance		90 %
6	D20	natural abundance		10 %

2 3D CBCA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5, Details 20 mM Tris, pH 7.5, 50 mM NaCl, 0.3 mM NaN3, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Ig58	[U-99% 13C; U-99% 15N]		0.5 ~ 1.5 mM
2	Tris	natural abundance		20 mM
3	NaCl	natural abundance		50 mM
4	NaN3	natural abundance		0.3 mM
5	H20	natural abundance		90 %
6	D20	natural abundance		10 %

3 3D HNCACB

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5, Details 20 mM Tris, pH 7.5, 50 mM NaCl, 0.3 mM NaN3, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Ig58	[U-99% 13C; U-99% 15N]		0.5 ~ 1.5 mM
2	Tris	natural abundance		20 mM
3	NaCl	natural abundance		50 mM
4	NaN3	natural abundance		0.3 mM
5	H20	natural abundance		90 %
6	D20	natural abundance		10 %

4 3D HNCO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5, Details 20 mM Tris, pH 7.5, 50 mM NaCl, 0.3 mM NaN3, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Ig58	[U-99% 13C; U-99% 15N]		0.5 ~ 1.5 mM
2	Tris	natural abundance		20 mM
3	NaCl	natural abundance		50 mM
4	NaN3	natural abundance		0.3 mM
5	H20	natural abundance		90 %
6	D20	natural abundance		10 %

5 3D HCACO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5, Details 20 mM Tris, pH 7.5, 50 mM NaCl, 0.3 mM NaN3, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Ig58	[U-99% 13C; U-99% 15N]		0.5 ~ 1.5 mM
2	Tris	natural abundance		20 mM
3	NaCl	natural abundance		50 mM
4	NaN3	natural abundance		0.3 mM
5	H20	natural abundance		90 %
6	D20	natural abundance		10 %

6 3D C(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5, Details 20 mM Tris, pH 7.5, 50 mM NaCl, 0.3 mM NaN3, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Ig58	[U-99% 13C; U-99% 15N]		0.5 ~ 1.5 mM
2	Tris	natural abundance		20 mM
3	NaCl	natural abundance		50 mM
4	NaN3	natural abundance		0.3 mM
5	H20	natural abundance		90 %
6	D20	natural abundance		10 %

7 3D H(CCO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5, Details 20 mM Tris, pH 7.5, 50 mM NaCl, 0.3 mM NaN3, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Ig58	[U-99% 13C; U-99% 15N]		0.5 ~ 1.5 mM
2	Tris	natural abundance		20 mM
3	NaCl	natural abundance		50 mM
4	NaN3	natural abundance		0.3 mM
5	H20	natural abundance		90 %
6	D20	natural abundance		10 %

8 3D 1H-15N NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5, Details 20 mM Tris, pH 7.5, 50 mM NaCl, 0.3 mM NaN3, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Ig58	[U-99% 13C; U-99% 15N]		0.5 ~ 1.5 mM
2	Tris	natural abundance		20 mM
3	NaCl	natural abundance		50 mM
4	NaN3	natural abundance		0.3 mM
5	H20	natural abundance		90 %
6	D20	natural abundance		10 %

9 3D 1H-15N TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5, Details 20 mM Tris, pH 7.5, 50 mM NaCl, 0.3 mM NaN3, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Ig58	[U-99% 13C; U-99% 15N]		0.5 ~ 1.5 mM
2	Tris	natural abundance		20 mM
3	NaCl	natural abundance		50 mM
4	NaN3	natural abundance		0.3 mM
5	H20	natural abundance		90 %
6	D20	natural abundance		10 %

10 3D 1H-13C NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5, Details 20 mM Tris, pH 7.5, 50 mM NaCl, 0.3 mM NaN3, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Ig58	[U-99% 13C; U-99% 15N]		0.5 ~ 1.5 mM
2	Tris	natural abundance		20 mM
3	NaCl	natural abundance		50 mM
4	NaN3	natural abundance		0.3 mM
5	H20	natural abundance		90 %
6	D20	natural abundance		10 %

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints	combined_25308_2mwc.nef
Input source #2: Coordindates	2mwc.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

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
TAKNTVVRGLENVEALEGGEALFECQLSQPEVAAHTWLLDDEPVRTSENAEVVFFENGLRHLLLLKNLRPQDSCRVTFLAGDMVTSAFLTVRGGLEHHHH
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
TAKNTVVRGLENVEALEGGEALFECQLSQPEVAAHTWLLDDEPVRTSENAEVVFFENGLRHLLLLKNLRPQDSCRVTFLAGDMVTSAFLTVRGGLEHHHH

--
HH
||
HH

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	102	0	0	100.0

Content subtype: combined_25308_2mwc.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	960		95.1 (chain: A, length: 102)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	1773 (1)	noe	91.2 (chain: A, length: 102)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	169 (169)	.	98.0 (chain: A, length: 102)
1	RDC restraints	CNS/XPLOR_dipolar_coupling_4	OK	72 (72)	.	70.6 (chain: A, length: 102)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 102, Sequence coverage: 95.1%
- Total number of assignments
  - ¹H chemical shifts: 493
  - ¹³C chemical shifts: 376
  - ¹⁵N chemical shifts: 91
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- Peptide bond of PRO
- 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

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 102, Sequence coverage: 91.2%
- Total number of restraints: 1767
- Weight of restraints: 1.0 (1767)
- Potential type of restraints: square-well-parabolic (1767)
- Range of distance target values: 2.25, 4.1 (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

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 102, Sequence coverage: 98.0%
- Total number of restraints: 169
- Total number of restraints per polymer type: 169
- Weight of restraints: 1.0 (169)
- Potential type of restraints: square-well-parabolic (169)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

RDC restraints

Saveframe: CNS/XPLOR_dipolar_coupling_4

Status: OK
Experiment type: .

Sequence coverage of experimental data

Entity_assembly_ID: A, Chain length: 102, Sequence coverage: 70.6%

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
TAKNTVVRGLENVEALEGGEALFECQLSQPEVAAHTWLLDDEPVRTSENAEVVFFENGLRHLLLLKNLRPQDSCRVTFLAGDMVTSAFLTVRGGLEHHHH
  ||||| | |||| || | |||||   |  |||  |||| | | |||| ||||| || ||| | |||| |||||| |||||||| ||||||| |    |
..KNTVV.G.ENVE.LE.G.ALFEC...Q..VAA..WLLD.E.V.TSEN.EVVFF.NG.RHL.L.KNLR.QDSCRV.FLAGDMVT.AFLTVRG.L....H

--
HH
||
HH

Total number of restraints: 72
Potential type of restraints: undefined (72)
Range of observed RDC values: 100.0, -100.0 (Hz)
RDC restraints per residue
- Chain_ID: A
  None