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BMRB: 19568

2MFR

assignment of the transmembrane domain of insulin receptor in detergent micelles

Authors

Li, Q., Wong, Y., Kang, C.

Assembly

ISUR

Entity

1. ISUR (polymer, Thiol state: not available), 57 monomers, 6706.767 Da Detail

MTYFYVTDYL DVPSNIAKII IGPLIFVFLF SVVIGSIYLF LRKRQPDGPL EHHHHHH

Formula weight

6706.767 Da

Source organism

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 91.2 %, Completeness: 41.8 %, Completeness (bb): 82.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	41.8 % (299 of 715)	30.3 % (111 of 366)	48.0 % (141 of 294)	85.5 % (47 of 55)
Backbone	82.0 % (274 of 334)	80.5 % (91 of 113)	81.0 % (136 of 168)	88.7 % (47 of 53)
Sidechain	16.3 % (71 of 435)	8.3 % (21 of 253)	27.8 % (50 of 180)	0.0 % (0 of 2)
Aromatic	0.0 % (0 of 106)	0.0 % (0 of 53)	0.0 % (0 of 53)
Methyl	11.5 % (9 of 78)	10.3 % (4 of 39)	12.8 % (5 of 39)

1. ISU

MTYFYVTDYL DVPSNIAKII IGPLIFVFLF SVVIGSIYLF LRKRQPDGPL EHHHHHH

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5, Details 20 mM sodium phosphate, pH6.5, 2% DPC

#	Name	Isotope labeling	Type	Concentration
1	ISU	[U-100% 15N]		0.2 ~ 0.4 mM
2	ISU	[U-100% 13C; U-100% 15N]		0.2 ~ 0.4 mM
3	sodium phosphate	natural abundance		20 mM
4	DPC	natural abundance		2 %
5	DTT	natural abundance		1 mM

Protein Blocks Logo

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

Release date

2014-02-11

Citation

Solution structure of the transmembrane domain of the insulin receptor in detergent micelles
Li, Q., Wong, Y., Kang, C.
Biochim. Biophys. Acta (2014), 1838, 1313-1321, PubMed 24440425 , DOI 10.1016/j.bbamem.2014.01.005 , Abstract

Related entities 1. ISUR, : 1 : 11 : 27 entities Detail

Interaction partners 1. ISUR, : 40 interactors Detail

More details for 40 interactors identified by 26 citations

Experiments performed 8 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5, Details 20 mM sodium phosphate, pH6.5, 2% DPC

#	Name	Isotope labeling	Type	Concentration
1	ISU	[U-100% 15N]		0.2 ~ 0.4 mM
2	ISU	[U-100% 13C; U-100% 15N]		0.2 ~ 0.4 mM
3	sodium phosphate	natural abundance		20 mM
4	DPC	natural abundance		2 %
5	DTT	natural abundance		1 mM

2 2D 1H-15N HSQC

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5, Details 20 mM sodium phosphate, pH6.5, 2% DPC

#	Name	Isotope labeling	Type	Concentration
1	ISU	[U-100% 15N]		0.2 ~ 0.4 mM
2	ISU	[U-100% 13C; U-100% 15N]		0.2 ~ 0.4 mM
3	sodium phosphate	natural abundance		20 mM
4	DPC	natural abundance		2 %
5	DTT	natural abundance		1 mM

3 3D HNCA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5, Details 20 mM sodium phosphate, pH6.5, 2% DPC

#	Name	Isotope labeling	Type	Concentration
1	ISU	[U-100% 15N]		0.2 ~ 0.4 mM
2	ISU	[U-100% 13C; U-100% 15N]		0.2 ~ 0.4 mM
3	sodium phosphate	natural abundance		20 mM
4	DPC	natural abundance		2 %
5	DTT	natural abundance		1 mM

4 3D HNCACB

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5, Details 20 mM sodium phosphate, pH6.5, 2% DPC

#	Name	Isotope labeling	Type	Concentration
1	ISU	[U-100% 15N]		0.2 ~ 0.4 mM
2	ISU	[U-100% 13C; U-100% 15N]		0.2 ~ 0.4 mM
3	sodium phosphate	natural abundance		20 mM
4	DPC	natural abundance		2 %
5	DTT	natural abundance		1 mM

5 3D HNCO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5, Details 20 mM sodium phosphate, pH6.5, 2% DPC

#	Name	Isotope labeling	Type	Concentration
1	ISU	[U-100% 15N]		0.2 ~ 0.4 mM
2	ISU	[U-100% 13C; U-100% 15N]		0.2 ~ 0.4 mM
3	sodium phosphate	natural abundance		20 mM
4	DPC	natural abundance		2 %
5	DTT	natural abundance		1 mM

6 3D HBHA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5, Details 20 mM sodium phosphate, pH6.5, 2% DPC

#	Name	Isotope labeling	Type	Concentration
1	ISU	[U-100% 15N]		0.2 ~ 0.4 mM
2	ISU	[U-100% 13C; U-100% 15N]		0.2 ~ 0.4 mM
3	sodium phosphate	natural abundance		20 mM
4	DPC	natural abundance		2 %
5	DTT	natural abundance		1 mM

7 3D 1H-15N NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5, Details 20 mM sodium phosphate, pH6.5, 2% DPC

#	Name	Isotope labeling	Type	Concentration
1	ISU	[U-100% 15N]		0.2 ~ 0.4 mM
2	ISU	[U-100% 13C; U-100% 15N]		0.2 ~ 0.4 mM
3	sodium phosphate	natural abundance		20 mM
4	DPC	natural abundance		2 %
5	DTT	natural abundance		1 mM

8 3D 1H-15N NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5, Details 20 mM sodium phosphate, pH6.5, 2% DPC

#	Name	Isotope labeling	Type	Concentration
1	ISU	[U-100% 15N]		0.2 ~ 0.4 mM
2	ISU	[U-100% 13C; U-100% 15N]		0.2 ~ 0.4 mM
3	sodium phosphate	natural abundance		20 mM
4	DPC	natural abundance		2 %
5	DTT	natural abundance		1 mM

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_19568_2mfr.nef
Input source #2: Coordindates	2mfr.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-------
MTYFYVTDYLDVPSNIAKIIIGPLIFVFLFSVVIGSIYLFLRKRQPDGPLEHHHHHH
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MTYFYVTDYLDVPSNIAKIIIGPLIFVFLFSVVIGSIYLFLRKRQPDGPLEHHHHHH

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	57	0	0	100.0

Content subtype: combined_19568_2mfr.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	OK	280		89.5 (chain: A, length: 57)
1	Distance restraints	CNS/XPLOR_distance_constraints_3	OK	131 (1)	noe	82.5 (chain: A, length: 57)
2	Distance restraints	CNS/XPLOR_distance_constraints_4	OK	32 (1)	hbond	38.6 (chain: A, length: 57)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_2	OK	86 (86)	.	82.5 (chain: A, length: 57)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 57, Sequence coverage: 89.5%
- Total number of assignments
  - ¹H chemical shifts: 98
  - ¹³C chemical shifts: 136
  - 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: CNS/XPLOR_distance_constraints_3
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 57, Sequence coverage: 82.5%
- Total number of restraints: 131
- Weight of restraints: 1.0 (131)
- Potential type of restraints: square-well-parabolic (131)
- Range of distance target values: 2.19, 3.88 (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: OK
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 57, Sequence coverage: 38.6%
  - Total number of restraints: 32
  - Weight of restraints: 1.0 (32)
  - Potential type of restraints: square-well-parabolic (32)
  - Range of distance target values: 2.05, 3.05 (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_2
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 57, Sequence coverage: 82.5%
- Total number of restraints: 86
- Total number of restraints per polymer type: 86
- Weight of restraints: 1.0 (86)
- Potential type of restraints: square-well-parabolic (86)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords insulin receptor, membrane protein, micelles, NMR assignment