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Found 1 Document (1.598 seconds)

BMRB: 4736

4KML

1H, 13C, 15N Chemical Shift Assignment for the human prion protein variant M166V

Authors

Calzolai, L., Zahn, R., Guntert, P., Wuthrich, K., von Schroetter, C., Riek, R., Lysek, D.

Assembly

human prion protein variant M166V

Entity

1. human prion protein variant M166V (polymer, Thiol state: not reported), 112 monomers, 13113.40 Da Detail

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

Formula weight

13113.4 Da

Source organism

Homo sapiens

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 88.1 %, Completeness (bb): 83.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.1 % (1151 of 1306)	97.9 % (666 of 680)	72.8 % (366 of 503)	96.7 % (119 of 123)
Backbone	83.0 % (553 of 666)	97.4 % (224 of 230)	68.5 % (224 of 327)	96.3 % (105 of 109)
Sidechain	93.9 % (698 of 743)	98.2 % (442 of 450)	86.7 % (242 of 279)	100.0 % (14 of 14)
Aromatic	74.6 % (100 of 134)	95.5 % (64 of 67)	53.7 % (36 of 67)
Methyl	100.0 % (90 of 90)	100.0 % (45 of 45)	100.0 % (45 of 45)

1. human prion protein

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

Show sample condition

Sample

Temperature 293 (±0.2) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	human prion protein	[U-95% 13C; U-95% 15N]		1.2 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	0.0 ppm	internal	direct	0.0

Referencing offset: 0.45 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	0.0 ppm	internal	direct	0.0

Referencing offset: 0.45 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	0.0 ppm	internal	direct	0.0

Referencing offset: 0.08 ppm, Outliers: 2 Detail

Release date

2000-07-04

Citation

NMR structures of three single-residue variants of the human prion protein
Calzolai, L., Zahn, R., Guntert, P., Wuthrich, K., von Schroetter, C., Riek, R., Lysek, D.
Proc. Natl. Acad. Sci. U. S. A. (2000), 97, 8340-8345, PubMed 10900000 , DOI 10.1073/pnas.97.15.8340 , Abstract

Related entities 1. human prion protein variant M166V, : 1 : 29 : 3 : 129 entities Detail

Interaction partners 1. human prion protein variant M166V, : 70 interactors Detail

More details for 70 interactors identified by 14 citations

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4736_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: bmr4736_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	shift_set_1	Warning	1251		100.0 (chain: 1, length: 112)
1	Chemical shift references	chemical_shift_reference	OK	1		No information

Assigned chemical shifts

Saveframe: shift_set_1
- 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: 355
  - ¹H chemical shifts: 770
  - 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

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
65	THR	HG1	6.34

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	503	355	70.6
¹H chemical shifts	680	667	98.1
¹⁵N chemical shifts	131	126	96.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	224	111	49.6
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	279	244	87.5
¹H chemical shifts	450	443	98.4
¹⁵N chemical shifts	22	22	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	51	51	100.0
¹H chemical shifts	51	51	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	67	36	53.7
¹H chemical shifts	67	64	95.5

Keywords prion protein

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Found 1 Document (1.598 seconds)

BMRB: 4736

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. human prion protein variant M166V, : 1 : 29 : 3 : 129 entities Detail

Interaction partners 1. human prion protein variant M166V, : 70 interactors Detail

Chemical shift validation 3 contents Detail