BMRBj - BMREntryMaster

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BMRB: 17936

2LJH

N/A

Authors

Barraud, P., Allain, F.H.-T.

Assembly

dADAR-dsRBD1

Entity

1. dADAR-dsRBD1 (polymer, Thiol state: not present), 93 monomers, 10243.88 Da Detail

SDPKKKMCKE RIPQPKNTVA MLNELRHGLI YKLESQTGPV HAPLFTISVE VDGQKYLGQG RSKKVARIEA AATALRSFIQ FKDGAVLSPL KPA

Formula weight

10243.88 Da

Source organism

Drosophila melanogaster

Exptl. method

Refine. method

torsion angle dynamics, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 88.2 %, Completeness: 75.8 %, Completeness (bb): 72.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	75.8 % (838 of 1106)	81.5 % (476 of 584)	66.4 % (285 of 429)	82.8 % (77 of 93)
Backbone	72.4 % (394 of 544)	85.4 % (158 of 185)	60.8 % (166 of 273)	81.4 % (70 of 86)
Sidechain	80.0 % (519 of 649)	79.7 % (318 of 399)	79.8 % (194 of 243)	100.0 % (7 of 7)
Aromatic	81.5 % (44 of 54)	100.0 % (27 of 27)	63.0 % (17 of 27)
Methyl	94.3 % (100 of 106)	94.3 % (50 of 53)	94.3 % (50 of 53)

1. dADAR-dsRBD1

SDPKKKMCKE RIPQPKNTVA MLNELRHGLI YKLESQTGPV HAPLFTISVE VDGQKYLGQG RSKKVARIEA AATALRSFIQ FKDGAVLSPL KPA

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	dADAR-dsRBD1	[U-15N]		0.8 ~ 1.2 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
4	dADAR-dsRBD1	[U-13C; U-15N]		0.8 ~ 1.2 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

LACS Plot; CA

Referencing offset: -0.17 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: -0.17 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: 0.11 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2012-01-08

Citation

Solution structure of the N-terminal dsRBD of Drosophila ADAR and interaction studies with RNA
Barraud, P., Heale, B.S.E., Allain, M.A.
Biochimie (2012), 94, 1499-1509, PubMed 22210494 , DOI 10.1016/j.biochi.2011.12.017 , Abstract

Related entities 1. dADAR-dsRBD1, : 1 : 2 : 19 entities Detail

Interaction partners 1. dADAR-dsRBD1, : 2 interactors Detail

More details for 2 interactors identified by 2 citations

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	dADAR-dsRBD1	[U-15N]		0.8 ~ 1.2 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
4	dADAR-dsRBD1	[U-13C; U-15N]		0.8 ~ 1.2 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

3 2D 1H-13C HSQC aromatic

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
4	dADAR-dsRBD1	[U-13C; U-15N]		0.8 ~ 1.2 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

4 3D HNCA

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
4	dADAR-dsRBD1	[U-13C; U-15N]		0.8 ~ 1.2 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

5 3D HNCACB

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
4	dADAR-dsRBD1	[U-13C; U-15N]		0.8 ~ 1.2 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

6 3D CBCA(CO)NH

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
4	dADAR-dsRBD1	[U-13C; U-15N]		0.8 ~ 1.2 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

7 3D HCCH-TOCSY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
4	dADAR-dsRBD1	[U-13C; U-15N]		0.8 ~ 1.2 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

8 3D H(CCO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
4	dADAR-dsRBD1	[U-13C; U-15N]		0.8 ~ 1.2 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

9 3D 1H-15N NOESY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	dADAR-dsRBD1	[U-15N]		0.8 ~ 1.2 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

10 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
4	dADAR-dsRBD1	[U-13C; U-15N]		0.8 ~ 1.2 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

11 3D 1H-13C NOESY aromatic

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
4	dADAR-dsRBD1	[U-13C; U-15N]		0.8 ~ 1.2 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_17936_2ljh.nef
Input source #2: Coordindates	2ljh.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

--30--------40--------50--------60--------70--------80--------90-------100-------110-------120------
MGSSHHHHHHSSGLVPRGSHMSDPKKKMCKERIPQPKNTVAMLNELRHGLIYKLESQTGPVHAPLFTISVEVDGQKYLGQGRSKKVARIEAAATALRSFI
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MGSSHHHHHHSSGLVPRGSHMSDPKKKMCKERIPQPKNTVAMLNELRHGLIYKLESQTGPVHAPLFTISVEVDGQKYLGQGRSKKVARIEAAATALRSFI
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

-130-------140
QFKDGAVLSPLKPA
||||||||||||||
QFKDGAVLSPLKPA
-------110----

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	114	0	0	100.0

Content subtype: combined_17936_2ljh.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	795		69.3 (chain: A, length: 114)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	2745 (1)	noe	69.3 (chain: A, length: 114)
2	Distance restraints	CNS/XPLOR_distance_constraints_3	OK	64 (1)	hbond	37.7 (chain: A, length: 114)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 114, Sequence coverage: 69.3%
- Total number of assignments
  - ¹H chemical shifts: 457
  - ¹³C chemical shifts: 263
  - ¹⁵N chemical shifts: 75
- Completeness of assignments
  - Entity_assemble_ID: A
- 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: 114, Sequence coverage: 69.3%
- Total number of restraints: 2745
- Weight of restraints: 1.0 (2745)
- Potential type of restraints: square-well-parabolic (2745)
- Range of distance target values: 2.16, 3.79 (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
- Saveframe: CNS/XPLOR_distance_constraints_3
  - Status: OK
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 114, Sequence coverage: 37.7%
  - Total number of restraints: 64
  - Weight of restraints: 1.0 (64)
  - Potential type of restraints: square-well-parabolic (64)
  - Range of distance target values: 2.0, 3.0 (Å)
  - Histogram of distance target values
  - Distance restraints per residue
    - Chain_ID: A
  - Distance restraints on contact map

Keywords ADAR, drosophila, dsRBD, dsRBM, editing