BMRBj - BMREntryMaster

Found 1 Document (0.894 seconds)

BMRB: 17084

8EFU

NMR structure of mouse PrP fragment 121-231 at 20 C.

Authors

Christen, B., Damberger, F.F., Perez, D.R., Hornemann, S., Wuthrich, K.

Assembly

prion

Entity

1. prion (polymer, Thiol state: all disulfide bound), 114 monomers, 13393.75 Da Detail

GSVVGGLGGY MLGSAMSRPM IHFGNDWEDR YYRENMYRYP NQVYYRPVDQ YSNQNNFVHD CVNITIKQHT VTTTTKGENF TETDVKMMER VVEQMCVTQY QKESQAYYDG RRSS

Formula weight

13393.75 Da

Entity Connection

disulfide 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS61:SG	1:CYS96:SG

Source organism

Mus musculus

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.1 %, Completeness: 71.2 %, Completeness (bb): 68.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	71.2 % (952 of 1338)	64.6 % (451 of 698)	74.0 % (379 of 512)	95.3 % (122 of 128)
Backbone	68.1 % (462 of 678)	54.7 % (128 of 234)	68.8 % (229 of 333)	94.6 % (105 of 111)
Sidechain	77.6 % (594 of 765)	69.6 % (323 of 464)	89.4 % (254 of 284)	100.0 % (17 of 17)
Aromatic	42.3 % (60 of 142)	25.4 % (18 of 71)	58.6 % (41 of 70)	100.0 % (1 of 1)
Methyl	54.7 % (47 of 86)	9.3 % (4 of 43)	100.0 % (43 of 43)

1. prion

GSVVGGLGGY MLGSAMSRPM IHFGNDWEDR YYRENMYRYP NQVYYRPVDQ YSNQNNFVHD CVNITIKQHT VTTTTKGENF TETDVKMMER VVEQMCVTQY QKESQAYYDG RRSS

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.2 K, pH 4.5

#	Name	Isotope labeling	Concentration
1	prion	[U-99% 13C; U-99% 15N]	1.0 mM
2	sodium acetate	[U-2H]	10 mM
3	sodium azide	natural abundance	0.02 %
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: 0.04 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: 0.04 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: 0.06 ppm, Outliers: 2 Detail

Release date

2012-08-01

Citation

Temperature-Induced Misfolding in Prion Protein: Evidence of Multiple Partially Disordered States Stabilized by Non-Native Hydrogen Bonds
Christen, B., Damberger, F.F., Perez, D.R., Hornemann, S., Wuthrich, K.
Biochemistry (2017), 56, 833-844, PubMed 28102071 , DOI 10.1021/acs.biochem.6b01042 , Abstract

Related entities 1. prion, : 1 : 2 : 7 : 12 : 135 entities Detail

Interaction partners 1. prion, : 36 interactors Detail

More details for 36 interactors identified by 12 citations

Experiments performed 2 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr17084_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:61:CYS:SG	1:96:CYS:SG	oxidized, CA 58.598, CB 40.873 ppm	oxidized, CA 60.099, CB 41.779 ppm	n/a

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr17084_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	912		99.1 (chain: 1, length: 114)
1	Chemical shift references	chemical_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 114, Sequence coverage: 99.1%
- Total number of assignments
  - ¹³C chemical shifts: 366
  - ¹H chemical shifts: 417
  - ¹⁵N chemical shifts: 129
- 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)
38	ARG	HH21	6.445
65	THR	HG1	6.409

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	512	366	71.5
¹H chemical shifts	698	415	59.5
¹⁵N chemical shifts	136	129	94.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	228	112	49.1
¹H chemical shifts	234	108	46.2
¹⁵N chemical shifts	111	104	93.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	284	254	89.4
¹H chemical shifts	464	307	66.2
¹⁵N chemical shifts	25	25	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	50	50	100.0
¹H chemical shifts	50	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	70	41	58.6
¹H chemical shifts	71	14	19.7
¹⁵N chemical shifts	1	1	100.0

Keywords 20 C, mouse, NMR, prion, temperature

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Found 1 Document (0.894 seconds)

BMRB: 17084

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. prion, : 1 : 2 : 7 : 12 : 135 entities Detail

Interaction partners 1. prion, : 36 interactors Detail

Experiments performed 2 experiments Detail

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail