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Found 1 Document (7.767 seconds)

BMRB: 17508

2LA6

Solution NMR Structure of RRM domain of RNA-binding protein FUS from homo sapiens, Northeast Structural Genomics onsortium Target HR6430A

Authors

Liu, G., Xiao, R., Janjua, H., Ciccosanti, C., Wang, H., Lee, H., Acton, T.B., Everett, J.K., Huang, Y.J., Montelione, G.T.

Assembly

HR6430A

Entity

1. HR6430A (polymer, Thiol state: not present), 99 monomers, 10953.05 Da Detail

MGHHHHHHSH SDNNTIFVQG LGENVTIESV ADYFKQIGII KTNKKTGQPM INLYTDRETG KLKGEATVSF DDPPSAKAAI DWFDGKEFSG NPIKVSFAT

Formula weight

10953.05 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

distance geometry, torsion angle dynamics, simulated annealing, molecular dynamics

Data set

assigned_chemical_shifts, RDCs

Chem. Shift Complete

Sequence coverage: 90.9 %, Completeness: 88.5 %, Completeness (bb): 86.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.5 % (1007 of 1138)	89.3 % (525 of 588)	87.9 % (391 of 445)	86.7 % (91 of 105)
Backbone	86.5 % (507 of 586)	86.7 % (176 of 203)	86.8 % (250 of 288)	85.3 % (81 of 95)
Sidechain	90.5 % (581 of 642)	90.6 % (349 of 385)	89.9 % (222 of 247)	100.0 % (10 of 10)
Aromatic	75.9 % (88 of 116)	75.9 % (44 of 58)	75.4 % (43 of 57)	100.0 % (1 of 1)
Methyl	100.0 % (92 of 92)	100.0 % (46 of 46)	100.0 % (46 of 46)

1. HR6430A

MGHHHHHHSH SDNNTIFVQG LGENVTIESV ADYFKQIGII KTNKKTGQPM INLYTDRETG KLKGEATVSF DDPPSAKAAI DWFDGKEFSG NPIKVSFAT

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.83 mM [U-100% 13C; U-100% 15N] HR6430A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR6430A	[U-100% 13C; U-100% 15N]	0.83 mM
2	NaN3	natural abundance	0.02 %
3	DTT	natural abundance	10 mM
4	CaCl2	natural abundance	5 mM
5	NaCl	natural abundance	100 mM
6	Proteinase Inhibitor	natural abundance
7	MES	natural abundance	20 mM
8	DSS	natural abundance	50 uM
9	H2O	natural abundance	95 %
10	D2O	natural abundance	5 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.794 mM [U-5% 13C; U-100% 15N] HR6430A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
11	HR6430A	[U-5% 13C; U-100% 15N]	0.794 mM
12	NaN3	natural abundance	0.02 %
13	DTT	natural abundance	10 mM
14	CaCl2	natural abundance	5 mM
15	NaCl	natural abundance	100 mM
16	Proteinase Inhibitor	natural abundance
17	MES	natural abundance	20 mM
18	DSS	natural abundance	50 uM
19	H2O	natural abundance	95 %
20	D2O	natural abundance	5 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.02 ppm, Outliers: 3 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.02 ppm, Outliers: 3 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.01 ppm, Outliers: 3 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.24 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2LA6, Strand ID: A Detail

RDC

69 RDC values in 1 lists
Field strength (¹H) 599.520 MHz, Pressure 1 atm, Temperature 298 K, pH 6.5 Detail

Release date

2011-05-01

Related entities 1. HR6430A, : 1 : 265 entities Detail

Interaction partners 1. HR6430A, : 117 interactors Detail

More details for 117 interactors identified by 39 citations

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.83 mM [U-100% 13C; U-100% 15N] HR6430A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR6430A	[U-100% 13C; U-100% 15N]	0.83 mM
2	NaN3	natural abundance	0.02 %
3	DTT	natural abundance	10 mM
4	CaCl2	natural abundance	5 mM
5	NaCl	natural abundance	100 mM
6	Proteinase Inhibitor	natural abundance
7	MES	natural abundance	20 mM
8	DSS	natural abundance	50 uM
9	H2O	natural abundance	95 %
10	D2O	natural abundance	5 %

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.794 mM [U-5% 13C; U-100% 15N] HR6430A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
11	HR6430A	[U-5% 13C; U-100% 15N]	0.794 mM
12	NaN3	natural abundance	0.02 %
13	DTT	natural abundance	10 mM
14	CaCl2	natural abundance	5 mM
15	NaCl	natural abundance	100 mM
16	Proteinase Inhibitor	natural abundance
17	MES	natural abundance	20 mM
18	DSS	natural abundance	50 uM
19	H2O	natural abundance	95 %
20	D2O	natural abundance	5 %

3 3D HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.83 mM [U-100% 13C; U-100% 15N] HR6430A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR6430A	[U-100% 13C; U-100% 15N]	0.83 mM
2	NaN3	natural abundance	0.02 %
3	DTT	natural abundance	10 mM
4	CaCl2	natural abundance	5 mM
5	NaCl	natural abundance	100 mM
6	Proteinase Inhibitor	natural abundance
7	MES	natural abundance	20 mM
8	DSS	natural abundance	50 uM
9	H2O	natural abundance	95 %
10	D2O	natural abundance	5 %

4 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.83 mM [U-100% 13C; U-100% 15N] HR6430A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR6430A	[U-100% 13C; U-100% 15N]	0.83 mM
2	NaN3	natural abundance	0.02 %
3	DTT	natural abundance	10 mM
4	CaCl2	natural abundance	5 mM
5	NaCl	natural abundance	100 mM
6	Proteinase Inhibitor	natural abundance
7	MES	natural abundance	20 mM
8	DSS	natural abundance	50 uM
9	H2O	natural abundance	95 %
10	D2O	natural abundance	5 %

5 3D HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.83 mM [U-100% 13C; U-100% 15N] HR6430A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR6430A	[U-100% 13C; U-100% 15N]	0.83 mM
2	NaN3	natural abundance	0.02 %
3	DTT	natural abundance	10 mM
4	CaCl2	natural abundance	5 mM
5	NaCl	natural abundance	100 mM
6	Proteinase Inhibitor	natural abundance
7	MES	natural abundance	20 mM
8	DSS	natural abundance	50 uM
9	H2O	natural abundance	95 %
10	D2O	natural abundance	5 %

6 3D 1H-13C arom NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.83 mM [U-100% 13C; U-100% 15N] HR6430A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR6430A	[U-100% 13C; U-100% 15N]	0.83 mM
2	NaN3	natural abundance	0.02 %
3	DTT	natural abundance	10 mM
4	CaCl2	natural abundance	5 mM
5	NaCl	natural abundance	100 mM
6	Proteinase Inhibitor	natural abundance
7	MES	natural abundance	20 mM
8	DSS	natural abundance	50 uM
9	H2O	natural abundance	95 %
10	D2O	natural abundance	5 %

7 3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.83 mM [U-100% 13C; U-100% 15N] HR6430A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR6430A	[U-100% 13C; U-100% 15N]	0.83 mM
2	NaN3	natural abundance	0.02 %
3	DTT	natural abundance	10 mM
4	CaCl2	natural abundance	5 mM
5	NaCl	natural abundance	100 mM
6	Proteinase Inhibitor	natural abundance
7	MES	natural abundance	20 mM
8	DSS	natural abundance	50 uM
9	H2O	natural abundance	95 %
10	D2O	natural abundance	5 %

8 3D HCCH-TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.83 mM [U-100% 13C; U-100% 15N] HR6430A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR6430A	[U-100% 13C; U-100% 15N]	0.83 mM
2	NaN3	natural abundance	0.02 %
3	DTT	natural abundance	10 mM
4	CaCl2	natural abundance	5 mM
5	NaCl	natural abundance	100 mM
6	Proteinase Inhibitor	natural abundance
7	MES	natural abundance	20 mM
8	DSS	natural abundance	50 uM
9	H2O	natural abundance	95 %
10	D2O	natural abundance	5 %

9 3D C(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.83 mM [U-100% 13C; U-100% 15N] HR6430A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR6430A	[U-100% 13C; U-100% 15N]	0.83 mM
2	NaN3	natural abundance	0.02 %
3	DTT	natural abundance	10 mM
4	CaCl2	natural abundance	5 mM
5	NaCl	natural abundance	100 mM
6	Proteinase Inhibitor	natural abundance
7	MES	natural abundance	20 mM
8	DSS	natural abundance	50 uM
9	H2O	natural abundance	95 %
10	D2O	natural abundance	5 %

10 3D HBHA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.83 mM [U-100% 13C; U-100% 15N] HR6430A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR6430A	[U-100% 13C; U-100% 15N]	0.83 mM
2	NaN3	natural abundance	0.02 %
3	DTT	natural abundance	10 mM
4	CaCl2	natural abundance	5 mM
5	NaCl	natural abundance	100 mM
6	Proteinase Inhibitor	natural abundance
7	MES	natural abundance	20 mM
8	DSS	natural abundance	50 uM
9	H2O	natural abundance	95 %
10	D2O	natural abundance	5 %

11 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.794 mM [U-5% 13C; U-100% 15N] HR6430A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
11	HR6430A	[U-5% 13C; U-100% 15N]	0.794 mM
12	NaN3	natural abundance	0.02 %
13	DTT	natural abundance	10 mM
14	CaCl2	natural abundance	5 mM
15	NaCl	natural abundance	100 mM
16	Proteinase Inhibitor	natural abundance
17	MES	natural abundance	20 mM
18	DSS	natural abundance	50 uM
19	H2O	natural abundance	95 %
20	D2O	natural abundance	5 %

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_17508_2la6.nef
Input source #2: Coordindates	2la6.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---------
MGHHHHHHSHSDNNTIFVQGLGENVTIESVADYFKQIGIIKTNKKTGQPMINLYTDRETGKLKGEATVSFDDPPSAKAAIDWFDGKEFSGNPIKVSFAT
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MGHHHHHHSHSDNNTIFVQGLGENVTIESVADYFKQIGIIKTNKKTGQPMINLYTDRETGKLKGEATVSFDDPPSAKAAIDWFDGKEFSGNPIKVSFAT

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	99	0	0	100.0

Content subtype: combined_17508_2la6.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1007		89.9 (chain: A, length: 99)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	3213 (1)	noe	89.9 (chain: A, length: 99)
2	Distance restraints	CNS/XPLOR_distance_constraints_4	Warning	30 (1)	hbond	28.3 (chain: A, length: 99)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	80 (80)	.	52.5 (chain: A, length: 99)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 99, Sequence coverage: 89.9%
- Total number of assignments
  - ¹H chemical shifts: 526
  - ¹³C chemical shifts: 391
  - ¹⁵N chemical shifts: 90
- Completeness of assignments
  - Entity_assemble_ID: A
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	588	526	89.5
¹³C chemical shifts	445	391	87.9
¹⁵N chemical shifts	106	90	84.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	203	177	87.2
¹³C chemical shifts	198	169	85.4
¹⁵N chemical shifts	95	80	84.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	385	349	90.6
¹³C chemical shifts	247	222	89.9
¹⁵N chemical shifts	11	10	90.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	48	47	97.9
¹³C chemical shifts	48	47	97.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	58	44	75.9
¹³C chemical shifts	57	43	75.4
¹⁵N chemical shifts	1	1	100.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 99, Sequence coverage: 89.9%
- Total number of restraints: 3209
- Weight of restraints: 1.0 (3209)
- Potential type of restraints: square-well-parabolic (3209)
- Range of distance target values: 2.06, 4.31 (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_4
  - Status: Warning
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 99, Sequence coverage: 28.3%
  - Total number of restraints: 30
  - Weight of restraints: 1.0 (30)
  - Potential type of restraints: square-well-parabolic (30)
  - Range of distance target values: 1.9, 2.85 (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: 99, Sequence coverage: 52.5%
- Total number of restraints: 80
- Total number of restraints per polymer type: 80
- Weight of restraints: 1.0 (80)
- Potential type of restraints: square-well-parabolic (80)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG), Protein NMR, Protein Structure Initiative, PSI-2, RNA recognition, Structural Genomics, Target HR6430A

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Found 1 Document (7.767 seconds)

BMRB: 17508

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. HR6430A, : 1 : 265 entities Detail

Interaction partners 1. HR6430A, : 117 interactors Detail

Experiments performed 11 experiments Detail

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NMR combined restraints 5 contents Detail