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BMRB: 27034

5N9Q

1H, 13C and 15N chemical shift assignments of A. thaliana RCD1(468-569)

Authors

Tossavainen, H., Hellman, M., Vainonen, J.P., Kangasjarvi, J., Permi, P.

Assembly

RCD1

Entity

1. RCD1 (polymer, Thiol state: not present), 128 monomers, 13917.60 Da Detail

GSPEFMGVTL EGPKDLPPQL ESNQGARGSG SANSVGSSTT RPKSPWMPFP TLFAAISHKV AENDMLLINA DYQQLRDKKM TRAEFVRKLR VIVGDDLLRS TITTLQNQPK SKEIPGSIRD HEEGAGGL

Formula weight

13917.6 Da

Source organism

Arabidopsis thaliana

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.1 %, Completeness: 88.9 %, Completeness (bb): 91.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.9 % (1296 of 1457)	88.3 % (676 of 766)	89.7 % (503 of 561)	90.0 % (117 of 130)
Backbone	91.8 % (687 of 748)	91.1 % (235 of 258)	92.7 % (345 of 372)	90.7 % (107 of 118)
Sidechain	87.0 % (718 of 825)	86.8 % (441 of 508)	87.5 % (267 of 305)	83.3 % (10 of 12)
Aromatic	60.3 % (41 of 68)	73.5 % (25 of 34)	45.5 % (15 of 33)	100.0 % (1 of 1)
Methyl	100.0 % (128 of 128)	100.0 % (64 of 64)	100.0 % (64 of 64)

1. RCD1

GSPEFMGVTL EGPKDLPPQL ESNQGARGSG SANSVGSSTT RPKSPWMPFP TLFAAISHKV AENDMLLINA DYQQLRDKKM TRAEFVRKLR VIVGDDLLRS TITTLQNQPK SKEIPGSIRD HEEGAGGL

Show sample condition

Sample

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6

#	Name	Isotope labeling	Type	Concentration
1	RCD1	[U-13C; U-15N]		0.9 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM

LACS Plot; CA

Referencing offset: -0.02 ppm, Outliers: 2 Detail

LACS Plot; CB

Referencing offset: -0.02 ppm, Outliers: 2 Detail

LACS Plot; HA

Referencing offset: 0.11 ppm, Outliers: 1 Detail

LACS Plot; CO

Referencing offset: 0.01 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 15 models in PDB: 5N9Q, Strand ID: A Detail

Release date

2017-02-12

Citation

¹H, ¹³C and ¹⁵N NMR chemical shift assignments of A. thaliana RCD1 RST
Tossavainen, H., Hellman, M., Vainonen, J.P., Kangasjarvi, J., Permi, P.
Biomol. NMR Assign. (2017), 11, 207-210, PubMed 28593560 , DOI 10.1007/s12104-017-9749-4 , Abstract

Related entities 1. RCD1, : 2 : 5 entities Detail

Interaction partners 1. RCD1, : 30 interactors Detail

More details for 30 interactors identified by 4 citations

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6

#	Name	Isotope labeling	Type	Concentration
1	RCD1	[U-13C; U-15N]		0.9 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6

#	Name	Isotope labeling	Type	Concentration
1	RCD1	[U-13C; U-15N]		0.9 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM

3 2D 1H-13C HSQC aromatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6

#	Name	Isotope labeling	Type	Concentration
1	RCD1	[U-13C; U-15N]		0.9 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM

4 3D CBCA(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6

#	Name	Isotope labeling	Type	Concentration
1	RCD1	[U-13C; U-15N]		0.9 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM

5 3D HNCACB

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6

#	Name	Isotope labeling	Type	Concentration
1	RCD1	[U-13C; U-15N]		0.9 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM

6 3D H(CCO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6

#	Name	Isotope labeling	Type	Concentration
1	RCD1	[U-13C; U-15N]		0.9 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM

7 3D C(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6

#	Name	Isotope labeling	Type	Concentration
1	RCD1	[U-13C; U-15N]		0.9 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM

8 3D HNCO

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6

#	Name	Isotope labeling	Type	Concentration
1	RCD1	[U-13C; U-15N]		0.9 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM

9 3D iHNCO

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6

#	Name	Isotope labeling	Type	Concentration
1	RCD1	[U-13C; U-15N]		0.9 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM

10 3D HBHA(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6

#	Name	Isotope labeling	Type	Concentration
1	RCD1	[U-13C; U-15N]		0.9 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM

11 3D hCCmHm

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6

#	Name	Isotope labeling	Type	Concentration
1	RCD1	[U-13C; U-15N]		0.9 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_27034_5n9q.nef
Input source #2: Coordindates	5n9q.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

------470-------480-------490-------500-------510-------520-------530-------540-------550-------560-
GSPEFMGVTLEGPKDLPPQLESNQGARGSGSANSVGSSTTRPKSPWMPFPTLFAAISHKVAENDMLLINADYQQLRDKKMTRAEFVRKLRVIVGDDLLRS
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GSPEFMGVTLEGPKDLPPQLESNQGARGSGSANSVGSSTTRPKSPWMPFPTLFAAISHKVAENDMLLINADYQQLRDKKMTRAEFVRKLRVIVGDDLLRS
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

------570-------580---------
TITTLQNQPKSKEIPGSIRDHEEGAGGL
||||||||||||||||||||||||||||
TITTLQNQPKSKEIPGSIRDHEEGAGGL
-------110-------120--------

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	128	0	0	100.0

Content subtype: combined_27034_5n9q.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1298		96.1 (chain: A, length: 128)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	OK	1985 (1)	noe	88.3 (chain: A, length: 128)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_3	OK	110 (110)	.	45.3 (chain: A, length: 128)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 128, Sequence coverage: 96.1%
- Total number of assignments
  - ¹³C chemical shifts: 500
  - ¹H chemical shifts: 675
  - ¹⁵N chemical shifts: 123
- 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: DYANA/DIANA_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 128, Sequence coverage: 88.3%
- Total number of restraints: 1985
- Weight of restraints: 1.0 (1985)
- Potential type of restraints: upper-bound-parabolic (1985)
- Range of distance target values: 2.45, 5.5 (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: DYANA/DIANA_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 128, Sequence coverage: 45.3%
- Total number of restraints: 110
- Total number of restraints per polymer type: 110
- Weight of restraints: 1.0 (110)
- Potential type of restraints: square-well-parabolic (110)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue