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BMRB: 16884

2MY8

1H, 13C and 15N Chemical Shift assignments for RRM3 of Brunol-3.

Authors

Kashyap, M.P., Bhatt, H.P., Bhavesh, N.

Assembly

RRM3 monomer

Entity

1. RRM3 monomer (polymer, Thiol state: all free), 97 monomers, 10917.44 Da Detail

GSHMQKEGPE GANLFIYHLP QEFGDQDILQ MFMPFGNVIS AKVFIDKQTN LSKCFGFVSY DNPVSAQAAI QAMNGFQIGM KRLKVQLKRS KNDSKPY

Formula weight

10917.44 Da

Source organism

Exptl. method

Refine. method

DGSA-distance geometry simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 86.9 %, Completeness (bb): 99.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	86.9 % (1021 of 1175)	82.7 % (512 of 619)	89.5 % (402 of 449)	100.0 % (107 of 107)
Backbone	99.7 % (570 of 572)	99.0 % (195 of 197)	100.0 % (283 of 283)	100.0 % (92 of 92)
Sidechain	78.0 % (540 of 692)	75.1 % (317 of 422)	81.6 % (208 of 255)	100.0 % (15 of 15)
Aromatic	46.4 % (52 of 112)	46.4 % (26 of 56)	46.4 % (26 of 56)
Methyl	85.4 % (70 of 82)	85.4 % (35 of 41)	85.4 % (35 of 41)

1. RRM3

GSHMQKEGPE GANLFIYHLP QEFGDQDILQ MFMPFGNVIS AKVFIDKQTN LSKCFGFVSY DNPVSAQAAI QAMNGFQIGM KRLKVQLKRS KNDSKPY

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Temperature 308 (±0.01) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	BRUNOL-3	[U-13C; U-15N]		1.0 ~ 1.2 (±0.05) mM
2	sodium phosphate	natural abundance		20 (±0.5) mM
3	sodium chloride	natural abundance		50 (±0.5) mM
4	sodium azide	natural abundance		0.1 %
5	D2O	[U-99% 2H]		5 %
6	D2O	natural abundance		95 %

LACS Plot; CA

Referencing offset: 5.47 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: 5.47 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: -0.04 ppm, Outliers: 2 Detail

LACS Plot; CO

Referencing offset: 5.73 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2011-12-14

Citation

1H, 13C and 15N NMR assignments of RNA recognizing motifs 1 and 2 of BRUNOL-3 protein from human involved in myotonic dystrophy
Kashyap, M.P., Bhatt, H.P., Bhavesh, N.
Biomol. NMR Assign. (2010), 4, 143-145, PubMed 20443086 , DOI 10.1007/s12104-010-9229-6 , Abstract

Related entities 1. RRM3 monomer, : 1 : 3 : 1 : 8 : 345 entities Detail

Interaction partners 1. RRM3 monomer, : 13 interactors Detail

More details for 13 interactors identified by 6 citations

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Temperature 308 (±0.01) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	BRUNOL-3	[U-13C; U-15N]		1.0 ~ 1.2 (±0.05) mM
2	sodium phosphate	natural abundance		20 (±0.5) mM
3	sodium chloride	natural abundance		50 (±0.5) mM
4	sodium azide	natural abundance		0.1 %
5	D2O	[U-99% 2H]		5 %
6	D2O	natural abundance		95 %

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Temperature 308 (±0.01) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	BRUNOL-3	[U-13C; U-15N]		1.0 ~ 1.2 (±0.05) mM
2	sodium phosphate	natural abundance		20 (±0.5) mM
3	sodium chloride	natural abundance		50 (±0.5) mM
4	sodium azide	natural abundance		0.1 %
5	D2O	[U-99% 2H]		5 %
6	D2O	natural abundance		95 %

3 3D CBCA(CO)NH

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Temperature 308 (±0.01) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	BRUNOL-3	[U-13C; U-15N]		1.0 ~ 1.2 (±0.05) mM
2	sodium phosphate	natural abundance		20 (±0.5) mM
3	sodium chloride	natural abundance		50 (±0.5) mM
4	sodium azide	natural abundance		0.1 %
5	D2O	[U-99% 2H]		5 %
6	D2O	natural abundance		95 %

4 3D HNCO

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Temperature 308 (±0.01) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	BRUNOL-3	[U-13C; U-15N]		1.0 ~ 1.2 (±0.05) mM
2	sodium phosphate	natural abundance		20 (±0.5) mM
3	sodium chloride	natural abundance		50 (±0.5) mM
4	sodium azide	natural abundance		0.1 %
5	D2O	[U-99% 2H]		5 %
6	D2O	natural abundance		95 %

5 3D HNCA

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Temperature 308 (±0.01) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	BRUNOL-3	[U-13C; U-15N]		1.0 ~ 1.2 (±0.05) mM
2	sodium phosphate	natural abundance		20 (±0.5) mM
3	sodium chloride	natural abundance		50 (±0.5) mM
4	sodium azide	natural abundance		0.1 %
5	D2O	[U-99% 2H]		5 %
6	D2O	natural abundance		95 %

6 3D HNCACB

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Temperature 308 (±0.01) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	BRUNOL-3	[U-13C; U-15N]		1.0 ~ 1.2 (±0.05) mM
2	sodium phosphate	natural abundance		20 (±0.5) mM
3	sodium chloride	natural abundance		50 (±0.5) mM
4	sodium azide	natural abundance		0.1 %
5	D2O	[U-99% 2H]		5 %
6	D2O	natural abundance		95 %

7 3D H(CCO)NH

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Temperature 308 (±0.01) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	BRUNOL-3	[U-13C; U-15N]		1.0 ~ 1.2 (±0.05) mM
2	sodium phosphate	natural abundance		20 (±0.5) mM
3	sodium chloride	natural abundance		50 (±0.5) mM
4	sodium azide	natural abundance		0.1 %
5	D2O	[U-99% 2H]		5 %
6	D2O	natural abundance		95 %

8 3D C(CO)NH

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Temperature 308 (±0.01) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	BRUNOL-3	[U-13C; U-15N]		1.0 ~ 1.2 (±0.05) mM
2	sodium phosphate	natural abundance		20 (±0.5) mM
3	sodium chloride	natural abundance		50 (±0.5) mM
4	sodium azide	natural abundance		0.1 %
5	D2O	[U-99% 2H]		5 %
6	D2O	natural abundance		95 %

9 3D HCCH-TOCSY

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Temperature 308 (±0.01) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	BRUNOL-3	[U-13C; U-15N]		1.0 ~ 1.2 (±0.05) mM
2	sodium phosphate	natural abundance		20 (±0.5) mM
3	sodium chloride	natural abundance		50 (±0.5) mM
4	sodium azide	natural abundance		0.1 %
5	D2O	[U-99% 2H]		5 %
6	D2O	natural abundance		95 %

10 3D 1H-15N NOESY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Temperature 308 (±0.01) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	BRUNOL-3	[U-13C; U-15N]		1.0 ~ 1.2 (±0.05) mM
2	sodium phosphate	natural abundance		20 (±0.5) mM
3	sodium chloride	natural abundance		50 (±0.5) mM
4	sodium azide	natural abundance		0.1 %
5	D2O	[U-99% 2H]		5 %
6	D2O	natural abundance		95 %

11 3D 1H-13C NOESY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Temperature 308 (±0.01) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	BRUNOL-3	[U-13C; U-15N]		1.0 ~ 1.2 (±0.05) mM
2	sodium phosphate	natural abundance		20 (±0.5) mM
3	sodium chloride	natural abundance		50 (±0.5) mM
4	sodium azide	natural abundance		0.1 %
5	D2O	[U-99% 2H]		5 %
6	D2O	natural abundance		95 %

12 3D HNN

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Temperature 308 (±0.01) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	BRUNOL-3	[U-13C; U-15N]		1.0 ~ 1.2 (±0.05) mM
2	sodium phosphate	natural abundance		20 (±0.5) mM
3	sodium chloride	natural abundance		50 (±0.5) mM
4	sodium azide	natural abundance		0.1 %
5	D2O	[U-99% 2H]		5 %
6	D2O	natural abundance		95 %

13 3D HN(C)N

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Temperature 308 (±0.01) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	BRUNOL-3	[U-13C; U-15N]		1.0 ~ 1.2 (±0.05) mM
2	sodium phosphate	natural abundance		20 (±0.5) mM
3	sodium chloride	natural abundance		50 (±0.5) mM
4	sodium azide	natural abundance		0.1 %
5	D2O	[U-99% 2H]		5 %
6	D2O	natural abundance		95 %

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_16884_2my8.nef
Input source #2: Coordindates	2my8.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

----400-------410-------420-------430-------440-------450-------460-------470-------480-------490
GSHMQKEGPEGANLFIYHLPQEFGDQDILQMFMPFGNVISAKVFIDKQTNLSKCFGFVSYDNPVSAQAAIQAMNGFQIGMKRLKVQLKRSKNDSKPY
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GSHMQKEGPEGANLFIYHLPQEFGDQDILQMFMPFGNVISAKVFIDKQTNLSKCFGFVSYDNPVSAQAAIQAMNGFQIGMKRLKVQLKRSKNDSKPY
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	97	0	0	100.0

Content subtype: combined_16884_2my8.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	994		100.0 (chain: A, length: 97)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	3260 (1)	noe	100.0 (chain: A, length: 97)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	142 (142)	.	80.4 (chain: A, length: 97)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 97, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 492
  - ¹³C chemical shifts: 395
  - ¹⁵N chemical shifts: 107
- 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

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 97, Sequence coverage: 100.0%
- Total number of restraints: 3258
- Weight of restraints: 1.0 (3258)
- Potential type of restraints: square-well-parabolic (3258)
- Range of distance target values: 2.41, 5.5 (Å)
- Histogram of 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: 97, Sequence coverage: 80.4%
- Total number of restraints: 142
- Total number of restraints per polymer type: 142
- Weight of restraints: 1.0 (142)
- Potential type of restraints: square-well-parabolic (142)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords BRUNOL-3, CUGBP2, RRM