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BMRB: 17741

2LF7

Q436

Authors

Coyne, H.J., Green, S.M., Graves, B.J., McIntosh, L.P.

Assembly

ETV6 Q436

Entity

1. ETV6 Q436 (polymer, Thiol state: not present), 106 monomers, 13036.79 Da Detail

GSHMRLLWDY VYQLLSDSRY ENFIRWEDKE SKIFRIVDPN GLARLWGNHK NRTNMTYEKM SRALRHYYKL NIIRKEPGQR LLFRFMKTPD EIMSGRTDRL EHLESQ

Formula weight

13036.79 Da

Source organism

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.2 %, Completeness: 96.1 %, Completeness (bb): 95.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	96.1 % (1293 of 1345)	95.5 % (682 of 714)	97.1 % (501 of 516)	95.7 % (110 of 115)
Backbone	95.6 % (602 of 630)	94.4 % (202 of 214)	96.5 % (302 of 313)	95.1 % (98 of 103)
Sidechain	95.5 % (779 of 816)	94.8 % (474 of 500)	96.4 % (293 of 304)	100.0 % (12 of 12)
Aromatic	97.1 % (136 of 140)	97.1 % (68 of 70)	97.0 % (65 of 67)	100.0 % (3 of 3)
Methyl	98.9 % (91 of 92)	97.8 % (45 of 46)	100.0 % (46 of 46)

1. entity

GSHMRLLWDY VYQLLSDSRY ENFIRWEDKE SKIFRIVDPN GLARLWGNHK NRTNMTYEKM SRALRHYYKL NIIRKEPGQR LLFRFMKTPD EIMSGRTDRL EHLESQ

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	sodium phosphate	natural abundance		50 mM
2	sodium chloride	natural abundance		200 mM
3	ETV6_Q436	[U-99% 13C; U-99% 15N]		0.6 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

LACS Plot; CA

Referencing offset: -0.33 ppm, Outliers: 2 Detail

LACS Plot; CB

Referencing offset: -0.33 ppm, Outliers: 2 Detail

LACS Plot; HA

Referencing offset: 0.0 ppm, Outliers: 2 Detail

LACS Plot; CO

Referencing offset: -0.15 ppm, Outliers: 5 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2LF7, Strand ID: A Detail

Release date

2012-05-20

Citation

Autoinhibition of ETV6 (TEL) DNA binding: appended helices sterically block the ETS domain
Coyne, H., De, S., Okon, M., Green, S.M., Bhachech, N., Graves, B.J., McIntosh, L.P.
J. Mol. Biol. (2012), 421, 67-84, PubMed 22584210 , DOI 10.1016/j.jmb.2012.05.010 , Abstract

Related entities 1. ETV6 Q436, : 1 : 1 : 7 : 187 entities Detail

Interaction partners 1. ETV6 Q436, : 17 interactors Detail

More details for 17 interactors identified by 10 citations

Experiments performed 16 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian Unity - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	sodium phosphate	natural abundance		50 mM
2	sodium chloride	natural abundance		200 mM
3	ETV6_Q436	[U-99% 13C; U-99% 15N]		0.6 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

2 3D 1H-13C NOESY

Instrument

Varian INOVA - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	sodium phosphate	natural abundance		50 mM
2	sodium chloride	natural abundance		200 mM
3	ETV6_Q436	[U-99% 13C; U-99% 15N]		0.6 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

3 2D 1H-13C HSQC aromatic

Instrument

Varian INOVA - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	sodium phosphate	natural abundance		50 mM
2	sodium chloride	natural abundance		200 mM
3	ETV6_Q436	[U-99% 13C; U-99% 15N]		0.6 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

4 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	sodium phosphate	natural abundance		50 mM
2	sodium chloride	natural abundance		200 mM
3	ETV6_Q436	[U-99% 13C; U-99% 15N]		0.6 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

5 3D HNCACB

Instrument

Varian Unity - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	sodium phosphate	natural abundance		50 mM
2	sodium chloride	natural abundance		200 mM
3	ETV6_Q436	[U-99% 13C; U-99% 15N]		0.6 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

6 3D HCCH-TOCSY

Instrument

Varian INOVA - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	sodium phosphate	natural abundance		50 mM
2	sodium chloride	natural abundance		200 mM
3	ETV6_Q436	[U-99% 13C; U-99% 15N]		0.6 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

7 3D HN(CO)CA

Instrument

Varian Unity - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	sodium phosphate	natural abundance		50 mM
2	sodium chloride	natural abundance		200 mM
3	ETV6_Q436	[U-99% 13C; U-99% 15N]		0.6 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

8 3D HNCO

Instrument

Varian Unity - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	sodium phosphate	natural abundance		50 mM
2	sodium chloride	natural abundance		200 mM
3	ETV6_Q436	[U-99% 13C; U-99% 15N]		0.6 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

9 3D HBHA(CO)NH

Instrument

Varian INOVA - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	sodium phosphate	natural abundance		50 mM
2	sodium chloride	natural abundance		200 mM
3	ETV6_Q436	[U-99% 13C; U-99% 15N]		0.6 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

10 3D 1H-13C NOESY

Instrument

Varian INOVA - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	sodium phosphate	natural abundance		50 mM
2	sodium chloride	natural abundance		200 mM
3	ETV6_Q436	[U-99% 13C; U-99% 15N]		0.6 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

11 dipsi3dn

Instrument

Varian INOVA - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	sodium phosphate	natural abundance		50 mM
2	sodium chloride	natural abundance		200 mM
3	ETV6_Q436	[U-99% 13C; U-99% 15N]		0.6 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

12 Cmethyl NOESY

Instrument

Varian INOVA - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	sodium phosphate	natural abundance		50 mM
2	sodium chloride	natural abundance		200 mM
3	ETV6_Q436	[U-99% 13C; U-99% 15N]		0.6 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

13 Nmethyl NOESY

Instrument

Varian INOVA - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	sodium phosphate	natural abundance		50 mM
2	sodium chloride	natural abundance		200 mM
3	ETV6_Q436	[U-99% 13C; U-99% 15N]		0.6 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

14 ccctocsynnh

Instrument

Varian Unity - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	sodium phosphate	natural abundance		50 mM
2	sodium chloride	natural abundance		200 mM
3	ETV6_Q436	[U-99% 13C; U-99% 15N]		0.6 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

15 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	sodium phosphate	natural abundance		50 mM
2	sodium chloride	natural abundance		200 mM
3	ETV6_Q436	[U-99% 13C; U-99% 15N]		0.6 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

16 2D 1H-13C HSQC aliphatic

Instrument

Varian INOVA - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	sodium phosphate	natural abundance		50 mM
2	sodium chloride	natural abundance		200 mM
3	ETV6_Q436	[U-99% 13C; U-99% 15N]		0.6 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_17741_2lf7.nef
Input source #2: Coordindates	2lf7.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

-------340-------350-------360-------370-------380-------390-------400-------410-------420-------430
GSHMRLLWDYVYQLLSDSRYENFIRWEDKESKIFRIVDPNGLARLWGNHKNRTNMTYEKMSRALRHYYKLNIIRKEPGQRLLFRFMKTPDEIMSGRTDRL
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GSHMRLLWDYVYQLLSDSRYENFIRWEDKESKIFRIVDPNGLARLWGNHKNRTNMTYEKMSRALRHYYKLNIIRKEPGQRLLFRFMKTPDEIMSGRTDRL
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

------
EHLESQ
||||||
EHLESQ
------

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	106	0	0	100.0

Content subtype: combined_17741_2lf7.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1295		96.2 (chain: A, length: 106)
1	Distance restraints	CNS/XPLOR_distance_constraints_3	OK	5687 (1)	noe	96.2 (chain: A, length: 106)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_2	OK	168 (168)	.	92.5 (chain: A, length: 106)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 106, Sequence coverage: 96.2%
- Total number of assignments
  - ¹H chemical shifts: 686
  - ¹³C chemical shifts: 497
  - ¹⁵N chemical shifts: 112
- 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_3
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 106, Sequence coverage: 96.2%
- Total number of restraints: 5685
- Weight of restraints: 1.0 (5685)
- Potential type of restraints: square-well-parabolic (5685)
- Range of distance target values: 1.44, 5.86 (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: CNS/XPLOR_dihedral_2
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 106, Sequence coverage: 92.5%
- Total number of restraints: 168
- Total number of restraints per polymer type: 168
- Weight of restraints: 1.0 (168)
- Potential type of restraints: square-well-parabolic (168)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords auto-inhibition, ETS domain, ETV6, TEL