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Found 1 Document (1.566 seconds)

BMRB: 25632

2N31

Tom1 negatively modulates binding of Tollip to phosphatidylinositol 3-phosphate via a coupled folding and binding mechanism

Authors

Xiao, S., Armstrong, G., Capelluto, D.

Assembly

TBD 1-22

Entity

1. TBD 1-22 (polymer, Thiol state: not present), 58 monomers, 6128.791 Da Detail

GPLGSMATTV STQRGPVYIG ELPQDFLRIT PTQQQRQVQL DAQAAQQLQY GGAVGTVG

Formula weight

6128.791 Da

Source organism

Exptl. method

Refine. method

DISTANCE GEOMETRY, SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 91.4 %, Completeness: 66.4 %, Completeness (bb): 83.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	66.4 % (427 of 643)	71.0 % (237 of 334)	58.2 % (142 of 244)	73.8 % (48 of 65)
Backbone	83.5 % (284 of 340)	83.3 % (100 of 120)	82.5 % (137 of 166)	87.0 % (47 of 54)
Sidechain	52.7 % (186 of 353)	64.0 % (137 of 214)	37.5 % (48 of 128)	9.1 % (1 of 11)
Aromatic	0.0 % (0 of 26)	0.0 % (0 of 13)	0.0 % (0 of 13)
Methyl	52.9 % (37 of 70)	82.9 % (29 of 35)	22.9 % (8 of 35)

1. entity

GPLGSMATTV STQRGPVYIG ELPQDFLRIT PTQQQRQVQL DAQAAQQLQY GGAVGTVG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	TBD	[U-99% 13C; U-99% 15N]		0.9 mM
2	GAT	natural abundance		1.1 mM
3	DSS	natural abundance		50 uM
4	TRIS	[U-2H]		20 mM
5	potassium chloride	natural abundance		50 mM
6	DTT	[U-2H]		1 mM
7	sodium azide	natural abundance		1 mM

LACS Plot; CA

Referencing offset: 2.7 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: 2.7 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: -0.06 ppm, Outliers: 1 Detail

LACS Plot; CO

Referencing offset: 2.82 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2N31, Strand ID: A Detail

Release date

2015-09-13

Citation

Tom1 Modulates Binding of Tollip to Phosphatidylinositol 3-Phosphate via a Coupled Folding and Binding Mechanism
Xiao, S., Brannon, M.K., Zhao, X., Fread, K.I., Ellena, J.F., Bushweller, J.H., Finkielstein, C.V., Armstrong, G.S., Capelluto, D.G.S.
Structure (2015), 23, 1910-1920, PubMed 26320582 , DOI 10.1016/j.str.2015.07.017 , Abstract

Related entities 1. TBD 1-22, : 2 : 15 entities Detail

Interaction partners 1. TBD 1-22, : 43 interactors Detail

More details for 43 interactors identified by 14 citations

Experiments performed 7 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian DD2 - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	TBD	[U-99% 13C; U-99% 15N]		0.9 mM
2	GAT	natural abundance		1.1 mM
3	DSS	natural abundance		50 uM
4	TRIS	[U-2H]		20 mM
5	potassium chloride	natural abundance		50 mM
6	DTT	[U-2H]		1 mM
7	sodium azide	natural abundance		1 mM

2 3D HNCO

Instrument

Varian DD2 - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	TBD	[U-99% 13C; U-99% 15N]		0.9 mM
2	GAT	natural abundance		1.1 mM
3	DSS	natural abundance		50 uM
4	TRIS	[U-2H]		20 mM
5	potassium chloride	natural abundance		50 mM
6	DTT	[U-2H]		1 mM
7	sodium azide	natural abundance		1 mM

3 3D HN(CA)CO

Instrument

Varian DD2 - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	TBD	[U-99% 13C; U-99% 15N]		0.9 mM
2	GAT	natural abundance		1.1 mM
3	DSS	natural abundance		50 uM
4	TRIS	[U-2H]		20 mM
5	potassium chloride	natural abundance		50 mM
6	DTT	[U-2H]		1 mM
7	sodium azide	natural abundance		1 mM

4 3D HNCACB

Instrument

Varian DD2 - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	TBD	[U-99% 13C; U-99% 15N]		0.9 mM
2	GAT	natural abundance		1.1 mM
3	DSS	natural abundance		50 uM
4	TRIS	[U-2H]		20 mM
5	potassium chloride	natural abundance		50 mM
6	DTT	[U-2H]		1 mM
7	sodium azide	natural abundance		1 mM

5 3D CBCA(CO)NH

Instrument

Varian DD2 - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	TBD	[U-99% 13C; U-99% 15N]		0.9 mM
2	GAT	natural abundance		1.1 mM
3	DSS	natural abundance		50 uM
4	TRIS	[U-2H]		20 mM
5	potassium chloride	natural abundance		50 mM
6	DTT	[U-2H]		1 mM
7	sodium azide	natural abundance		1 mM

6 3D 1H-15N NOESY

Instrument

Varian DD2 - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	TBD	[U-99% 13C; U-99% 15N]		0.9 mM
2	GAT	natural abundance		1.1 mM
3	DSS	natural abundance		50 uM
4	TRIS	[U-2H]		20 mM
5	potassium chloride	natural abundance		50 mM
6	DTT	[U-2H]		1 mM
7	sodium azide	natural abundance		1 mM

7 3D 1H-15N TOCSY

Instrument

Varian DD2 - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	TBD	[U-99% 13C; U-99% 15N]		0.9 mM
2	GAT	natural abundance		1.1 mM
3	DSS	natural abundance		50 uM
4	TRIS	[U-2H]		20 mM
5	potassium chloride	natural abundance		50 mM
6	DTT	[U-2H]		1 mM
7	sodium azide	natural abundance		1 mM

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_25632_2n31.nef
Input source #2: Coordindates	2n31.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---
GPLGSMATTVSTQRGPVYIGELPQDFLRITPTQQQRQVQLDAQAAQQLQYGGAVGTVG
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GPLGSMATTVSTQRGPVYIGELPQDFLRITPTQQQRQVQLDAQAAQQLQYGGAVGTVG
--------10--------20--------30--------40--------50--------

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	58	0	0	100.0

Content subtype: combined_25632_2n31.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	417		89.7 (chain: A, length: 58)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	OK	175 (1)	noe	36.2 (chain: A, length: 58)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_3	Warning	10 (10)	.	13.8 (chain: A, length: 58)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 58, Sequence coverage: 89.7%
- Total number of assignments
  - ¹H chemical shifts: 236
  - ¹³C chemical shifts: 135
  - ¹⁵N chemical shifts: 46
- Completeness of assignments
  - Entity_assemble_ID: A
- Peptide bond of PRO
- 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: 58, Sequence coverage: 36.2%
- Total number of restraints: 175
- Weight of restraints: 1.0 (175)
- Potential type of restraints: upper-bound-parabolic (175)
- Range of distance target values: 3.1, 5.31 (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

Dihedral angle restraints

Saveframe: DYANA/DIANA_dihedral_3
- Status: Warning
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 58, Sequence coverage: 13.8%
- Total number of restraints: 10
- Total number of restraints per polymer type: 10
- Weight of restraints: 1.0 (10)
- Potential type of restraints: square-well-parabolic (10)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue

Keywords protein