BMRBj - BMREntryMaster

Found 1 Document (1.723 seconds)

BMRB: 4379

4KML

NMR Solution Structure of the Human Prion Protein Domain reveals Species Dependent Structural Disorder and Intramolecular Association with the Flexible Tail

Authors

Zahn, R., Aizhuo, L., Luhrs, T., Wuthrich, K.

Assembly

human prion protein fragment 121-230

Entity

1. human prion protein fragment 121-230 (polymer), 112 monomers, 13145.46 Da Detail

GSVVGGLGGY MLGSAMSRPI IHFGSDYEDR YYRENMHRYP NQVYYRPMDE YSNQNNFVHD CVNITIKQHT VTTTTKGENF TETDVKMMER VVEQMCITQY ERESQAYYQR GS

Formula weight

13145.46 Da

Source organism

Homo sapiens

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 87.2 %, Completeness (bb): 81.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.2 % (1141 of 1308)	97.2 % (663 of 682)	71.8 % (361 of 503)	95.1 % (117 of 123)
Backbone	81.2 % (541 of 666)	97.0 % (223 of 230)	66.1 % (216 of 327)	93.6 % (102 of 109)
Sidechain	91.9 % (685 of 745)	95.6 % (432 of 452)	85.7 % (239 of 279)	100.0 % (14 of 14)
Aromatic	73.1 % (98 of 134)	94.0 % (63 of 67)	52.2 % (35 of 67)
Methyl	98.8 % (85 of 86)	97.7 % (42 of 43)	100.0 % (43 of 43)

1. human prion protein

GSVVGGLGGY MLGSAMSRPI IHFGSDYEDR YYRENMHRYP NQVYYRPMDE YSNQNNFVHD CVNITIKQHT VTTTTKGENF TETDVKMMER VVEQMCITQY ERESQAYYQR GS

Show sample condition

Sample #1

Temperature 293 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	human prion protein			1.0 mM

Sample #2

Temperature 293 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	human prion protein	[U-15N]		1.0 mM

Sample #3

Temperature 293 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	human prion protein	[U-15N; U-13C]		1.0 mM

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: 0.32 ppm, Outliers: 1 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: 0.32 ppm, Outliers: 1 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: 0.06 ppm, Outliers: 2 Detail

Release date

2000-01-31

Citation

NMR Solution Structure of the Human Prion Protein
Zahn, R., Liu, A., Luhrs, T., Riek, R., von Schroetter, C., Lopez Garcia, F., Billeter, M., Calzolai, L., Wider, G., Wuthrich, K.
Proc. Natl. Acad. Sci. U. S. A. (2000), 97, 145-150

Related entities 1. human prion protein fragment 121-230, : 1 : 2 : 27 : 3 : 129 entities Detail

Interaction partners 1. human prion protein fragment 121-230, : 70 interactors Detail

More details for 70 interactors identified by 14 citations

Experiments performed 6 experiments Detail

1 1H-1H-15N NOESY

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DRX (750 MHz)

Sample #1

Temperature 293 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	human prion protein			1.0 mM

Sample #2

Temperature 293 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	human prion protein	[U-15N]		1.0 mM

Sample #3

Temperature 293 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	human prion protein	[U-15N; U-13C]		1.0 mM

2 1H-1H-13C NOESY

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DRX (750 MHz)

Sample #1

Temperature 293 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	human prion protein			1.0 mM

Sample #2

Temperature 293 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	human prion protein	[U-15N]		1.0 mM

Sample #3

Temperature 293 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	human prion protein	[U-15N; U-13C]		1.0 mM

3 HCCH COSY

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DRX (750 MHz)

Sample #1

Temperature 293 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	human prion protein			1.0 mM

Sample #2

Temperature 293 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	human prion protein	[U-15N]		1.0 mM

Sample #3

Temperature 293 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	human prion protein	[U-15N; U-13C]		1.0 mM

4 HCCH TOCSY

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DRX (750 MHz)

Sample #1

Temperature 293 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	human prion protein			1.0 mM

Sample #2

Temperature 293 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	human prion protein	[U-15N]		1.0 mM

Sample #3

Temperature 293 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	human prion protein	[U-15N; U-13C]		1.0 mM

5 HNCA

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DRX (750 MHz)

Sample #1

Temperature 293 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	human prion protein			1.0 mM

Sample #2

Temperature 293 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	human prion protein	[U-15N]		1.0 mM

Sample #3

Temperature 293 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	human prion protein	[U-15N; U-13C]		1.0 mM

6 HNCACB

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DRX (750 MHz)

Sample #1

Temperature 293 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	human prion protein			1.0 mM

Sample #2

Temperature 293 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	human prion protein	[U-15N]		1.0 mM

Sample #3

Temperature 293 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	human prion protein	[U-15N; U-13C]		1.0 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4379_3.str
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

Content subtype: bmr4379_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	CSS	Warning	1247		100.0 (chain: 1, length: 112)
1	Chemical shift references	chemical_shift_reference	OK	3		No information

Assigned chemical shifts

Saveframe: CSS
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 112, Sequence coverage: 100.0%
- Total number of assignments
  - ¹³C chemical shifts: 354
  - ¹H chemical shifts: 767
  - ¹⁵N chemical shifts: 126
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- 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: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	224	110	49.1
¹H chemical shifts	230	224	97.4
¹⁵N chemical shifts	109	104	95.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	503	354	70.4
¹H chemical shifts	682	666	97.7
¹⁵N chemical shifts	131	126	96.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	279	244	87.5
¹H chemical shifts	452	442	97.8
¹⁵N chemical shifts	22	22	100.0

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Found 1 Document (1.723 seconds)

BMRB: 4379

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. human prion protein fragment 121-230, : 1 : 2 : 27 : 3 : 129 entities Detail

Interaction partners 1. human prion protein fragment 121-230, : 70 interactors Detail

Experiments performed 6 experiments Detail

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Chemical shift validation 3 contents Detail