BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	33.9 % (243 of 716)	16.2 % (60 of 371)	47.9 % (137 of 286)	78.0 % (46 of 59)
Backbone	67.2 % (231 of 344)	41.0 % (48 of 117)	79.2 % (137 of 173)	85.2 % (46 of 54)
Sidechain	13.3 % (57 of 427)	5.1 % (13 of 254)	26.2 % (44 of 168)	0.0 % (0 of 5)
Aromatic	0.0 % (0 of 102)	0.0 % (0 of 51)	0.0 % (0 of 50)	0.0 % (0 of 1)
Methyl	8.3 % (5 of 60)	0.0 % (0 of 30)	16.7 % (5 of 30)

1. entity 1

MGHHHHHHVQ SETVEPPPPA QLHFMYVAAA AFVLLFFVGC GVLLSRKRRR QHGQLWFPE

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 5.5, Details 350 uM [U-99% 15N] Notch1, 150 mg/mL DHPC/DMPC bicelle, 1 mM EDTA, 65 mM imidazole, 2 mM DTT, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	DHPC/DMPC bicelle	natural abundance	150 mg/mL
2	DTT	natural abundance	2 mM
3	EDTA	natural abundance	1 mM
4	Notch1	[U-99% 15N]	350 uM
5	imidazole	natural abundance	65 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 318 K, pH 5.5, Details 500 uM [U-99% 13C; U-99% 15N] Notch1, 150 mg/mL DHPC/DMPC bicelle, 100% D2O

#	Name	Isotope labeling	Type	Concentration
6	DHPC/DMPC bicelle	natural abundance		150 mg/mL
7	Notch1	[U-99% 13C; U-99% 15N]		500 uM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 5.5, Details 500 uM [U-99% 13C; U-99% 15N] Notch1, 150 mg/mL DHPC/DMPC, 1 mM EDTA, 65 mM imidazole, 2 mM DTT, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
8	DHPC/DMPC	natural abundance	150 mg/mL
9	DTT	natural abundance	2 mM
10	EDTA	natural abundance	1 mM
11	Notch1	[U-99% 13C; U-99% 15N]	500 uM
12	imidazole	natural abundance	65 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	water	protons	4.72 ppm	internal	direct	1.0

Referencing offset: -0.18 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	water	protons	4.72 ppm	internal	direct	1.0

Referencing offset: -0.18 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	water	protons	4.72 ppm	internal	direct	1.0

Referencing offset: 0.29 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 5KZO, Strand ID: A Detail

Release date

2016-12-08

Citation

Structural and biochemical differences between the Notch and the amyloid precursor protein transmembrane domains
Deatherage, C.L., Lu, Z., Kroncke, B.M., Ma, S., Smith, J.A., Voehler, M.W., McFeeters, R.L., Sanders, C.R.
Sci. Adv. (2017), 3, e1602794-e1602794, PubMed 28439555 , DOI 10.1126/sciadv.1602794 , Abstract

Related entities 1. Neurogenic locus notch homolog protein 1, : 2 : 21 entities Detail

Interaction partners 1. Neurogenic locus notch homolog protein 1, : 41 interactors Detail

More details for 41 interactors identified by 20 citations

Experiments performed 5 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AvanceIII - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 5.5, Details 350 uM [U-99% 15N] Notch1, 150 mg/mL DHPC/DMPC bicelle, 1 mM EDTA, 65 mM imidazole, 2 mM DTT, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	DHPC/DMPC bicelle	natural abundance	150 mg/mL
2	DTT	natural abundance	2 mM
3	EDTA	natural abundance	1 mM
4	Notch1	[U-99% 15N]	350 uM
5	imidazole	natural abundance	65 mM

2 3D C(CO)NH

Instrument

Bruker AvanceIII - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 5.5, Details 500 uM [U-99% 13C; U-99% 15N] Notch1, 150 mg/mL DHPC/DMPC, 1 mM EDTA, 65 mM imidazole, 2 mM DTT, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
8	DHPC/DMPC	natural abundance	150 mg/mL
9	DTT	natural abundance	2 mM
10	EDTA	natural abundance	1 mM
11	Notch1	[U-99% 13C; U-99% 15N]	500 uM
12	imidazole	natural abundance	65 mM

3 3D H(CCO)NH

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
8	DHPC/DMPC	natural abundance	150 mg/mL
9	DTT	natural abundance	2 mM
10	EDTA	natural abundance	1 mM
11	Notch1	[U-99% 13C; U-99% 15N]	500 uM
12	imidazole	natural abundance	65 mM

4 3D HCCH-TOCSY

Instrument

Bruker AvanceIII - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 318 K, pH 5.5, Details 500 uM [U-99% 13C; U-99% 15N] Notch1, 150 mg/mL DHPC/DMPC bicelle, 100% D2O

#	Name	Isotope labeling	Type	Concentration
6	DHPC/DMPC bicelle	natural abundance		150 mg/mL
7	Notch1	[U-99% 13C; U-99% 15N]		500 uM

5 3D 1H-15N NOESY

Instrument

Bruker AvanceIII - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
1	DHPC/DMPC bicelle	natural abundance	150 mg/mL
2	DTT	natural abundance	2 mM
3	EDTA	natural abundance	1 mM
4	Notch1	[U-99% 15N]	350 uM
5	imidazole	natural abundance	65 mM

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_30147_5kzo.nef
Input source #2: Coordindates	5kzo.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

--------------1730------1740------1750------1760------1770-
MGHHHHHHVQSETVEPPPPAQLHFMYVAAAAFVLLFFVGCGVLLSRKRRRQHGQLWFPE
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MGHHHHHHVQSETVEPPPPAQLHFMYVAAAAFVLLFFVGCGVLLSRKRRRQHGQLWFPE
--------10--------20--------30--------40--------50---------

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	59	0	0	100.0

Content subtype: combined_30147_5kzo.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	OK	228		83.1 (chain: A, length: 59)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	537 (1)	noe	86.4 (chain: A, length: 59)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_4	OK	70 (70)	.	67.8 (chain: A, length: 59)

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 59, Sequence coverage: 83.1%
- Total number of assignments
  - ¹³C chemical shifts: 137
  - ¹⁵N chemical shifts: 46
  - ¹H chemical shifts: 45
- Completeness of assignments
- Redox state of CYS
- 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_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 59, Sequence coverage: 86.4%
- Total number of restraints: 524
- Weight of restraints: 1.0 (524)
- Potential type of restraints: square-well-parabolic (524)
- Range of distance target values: 2.6, 4.2 (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_4
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 59, Sequence coverage: 67.8%
- Total number of restraints: 70
- Total number of restraints per polymer type: 70
- Weight of restraints: 1.0 (70)
- Potential type of restraints: square-well-parabolic (70)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords Notch, TRANSCRIPTION, membrane protein

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Found 1 Document (1.178 seconds)

BMRB: 30147

Sample #1

Sample #2

Sample #3

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Neurogenic locus notch homolog protein 1, : 2 : 21 entities Detail

Interaction partners 1. Neurogenic locus notch homolog protein 1, : 41 interactors Detail

Experiments performed 5 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

NMR combined restraints 4 contents Detail