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BMRB: 30514

6MG9

Human Obscurin Ig57 Domain

Authors

Wright, N.T., Whitley, J.A.

Assembly

Obscurin (E.C.2.7.11.1)

Entity

1. Obscurin (E.C.2.7.11.1) (polymer), 102 monomers, 11098.25 Da Detail

MAPEVTILEP LQDVQLSEGQ DASFQCRLSR ASGQEARWAL GGVPLQANEM NDITVEQGTL HLLTLHKVTL EDAGTVSFHV GTCSSEAQLK VTAGLEHHHH HH

Formula weight

11098.25 Da

Source organism

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 91.2 %, Completeness: 72.8 %, Completeness (bb): 83.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C
All	72.8 % (737 of 1013)	72.3 % (415 of 574)	73.3 % (322 of 439)
Backbone	83.4 % (423 of 507)	84.2 % (176 of 209)	82.9 % (247 of 298)
Sidechain	65.7 % (394 of 600)	65.5 % (239 of 365)	66.0 % (155 of 235)
Aromatic	0.0 % (0 of 67)	0.0 % (0 of 34)	0.0 % (0 of 33)
Methyl	84.9 % (107 of 126)	88.9 % (56 of 63)	81.0 % (51 of 63)

1. entity 1

MAPEVTILEP LQDVQLSEGQ DASFQCRLSR ASGQEARWAL GGVPLQANEM NDITVEQGTL HLLTLHKVTL EDAGTVSFHV GTCSSEAQLK VTAGLEHHHH HH

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 7.2, Details 20 mM TRIS, 1 mM DTT, 50 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	entity_1			0.0 ~ 0.0 mM
2	TRIS	natural abundance		20 mM
3	DTT	natural abundance		1 mM
4	sodium chloride	natural abundance		50 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 7.2, Details 20 mM TRIS, 1 mM DTT, 50 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
5	entity_1			0.0 ~ 0.0 mM
6	TRIS	natural abundance		20 mM
7	DTT	natural abundance		1 mM
8	sodium chloride	natural abundance		50 mM

LACS Plot; CA

Referencing offset: -0.36 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: -0.36 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: -0.22 ppm, Outliers: 3 Detail

LACS Plot; CO

Referencing offset: 0.72 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 6MG9, Strand ID: A Detail

Release date

2019-01-08

Citation

Structural Insights on the Obscurin-Binding Domains in Titin
Letourneau, A.G., Wright, N.T.
Protein Pept. Lett. (2018), 25, 973-979, PubMed 30289063 , DOI 10.2174/0929866525666181004102031 , Abstract

Related entities 1. Obscurin (E.C.2.7.11.1), : 1 : 1 : 274 entities Detail

Interaction partners 1. Obscurin (E.C.2.7.11.1), : 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 283 K, pH 7.2, Details 20 mM TRIS, 1 mM DTT, 50 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	entity_1			0.0 ~ 0.0 mM
2	TRIS	natural abundance		20 mM
3	DTT	natural abundance		1 mM
4	sodium chloride	natural abundance		50 mM

2 3D 1H-15N NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 7.2, Details 20 mM TRIS, 1 mM DTT, 50 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	entity_1			0.0 ~ 0.0 mM
2	TRIS	natural abundance		20 mM
3	DTT	natural abundance		1 mM
4	sodium chloride	natural abundance		50 mM

3 3D 1H-13C NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 7.2, Details 20 mM TRIS, 1 mM DTT, 50 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
5	entity_1			0.0 ~ 0.0 mM
6	TRIS	natural abundance		20 mM
7	DTT	natural abundance		1 mM
8	sodium chloride	natural abundance		50 mM

4 3D CBCA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 7.2, Details 20 mM TRIS, 1 mM DTT, 50 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
5	entity_1			0.0 ~ 0.0 mM
6	TRIS	natural abundance		20 mM
7	DTT	natural abundance		1 mM
8	sodium chloride	natural abundance		50 mM

5 3D C(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 7.2, Details 20 mM TRIS, 1 mM DTT, 50 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
5	entity_1			0.0 ~ 0.0 mM
6	TRIS	natural abundance		20 mM
7	DTT	natural abundance		1 mM
8	sodium chloride	natural abundance		50 mM

6 3D H(CCO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 7.2, Details 20 mM TRIS, 1 mM DTT, 50 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
5	entity_1			0.0 ~ 0.0 mM
6	TRIS	natural abundance		20 mM
7	DTT	natural abundance		1 mM
8	sodium chloride	natural abundance		50 mM

7 3D HNCACB

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 7.2, Details 20 mM TRIS, 1 mM DTT, 50 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
5	entity_1			0.0 ~ 0.0 mM
6	TRIS	natural abundance		20 mM
7	DTT	natural abundance		1 mM
8	sodium chloride	natural abundance		50 mM

8 3D HN(CO)CA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 7.2, Details 20 mM TRIS, 1 mM DTT, 50 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
5	entity_1			0.0 ~ 0.0 mM
6	TRIS	natural abundance		20 mM
7	DTT	natural abundance		1 mM
8	sodium chloride	natural abundance		50 mM

9 3D HNCO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 7.2, Details 20 mM TRIS, 1 mM DTT, 50 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
5	entity_1			0.0 ~ 0.0 mM
6	TRIS	natural abundance		20 mM
7	DTT	natural abundance		1 mM
8	sodium chloride	natural abundance		50 mM

10 3D 1H-15N TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 7.2, Details 20 mM TRIS, 1 mM DTT, 50 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	entity_1			0.0 ~ 0.0 mM
2	TRIS	natural abundance		20 mM
3	DTT	natural abundance		1 mM
4	sodium chloride	natural abundance		50 mM

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_30514_6mg9.nef
Input source #2: Coordindates	6mg9.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
MAPEVTILEPLQDVQLSEGQDASFQCRLSRASGQEARWALGGVPLQANEMNDITVEQGTLHLLTLHKVTLEDAGTVSFHVGTCSSEAQLKVTAGLEHHHH
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MAPEVTILEPLQDVQLSEGQDASFQCRLSRASGQEARWALGGVPLQANEMNDITVEQGTLHLLTLHKVTLEDAGTVSFHVGTCSSEAQLKVTAGLEHHHH

--
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_30514_6mg9.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	733		89.2 (chain: A, length: 102)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	1158 (1)	noe	89.2 (chain: A, length: 102)

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 102, Sequence coverage: 89.2%
- Total number of assignments
  - ¹H chemical shifts: 418
  - ¹³C chemical shifts: 315
- 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: 89.2%
- Total number of restraints: 1157
- Weight of restraints: 1.0 (1157)
- Potential type of restraints: square-well-parabolic (1157)
- Range of distance target values: 2.25, 4.0 (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 ig domain, obscurin, wlc