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Found 1 Document (1.153 seconds)

BMRB: 15824

2K56

Bank Vole Prion Protein (121-231)

Authors

Christen, B., Hornemann, S., Wuthrich, K.

Assembly

Prion Protein

Entity

1. Prion Protein (polymer, Thiol state: all disulfide bound), 113 monomers, 13229.54 Da Detail

GSVVGGLGGY MLGSAMSRPM IHFGNDWEDR YYRENMNRYP NQVYYRPVDQ YNNQNNFVHD CVNITIKQHT VTTTTKGENF TETDVKMMER VVEQMCVTQY QKESQAYYEG RSS

Formula weight

13229.54 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

Myodes glareolus

Exptl. method

solution NMR

Refine. method

OPAL (water shell), TORSION ANGLE DYNAMICS,

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 68.8 %, Completeness (bb): 66.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	68.8 % (911 of 1324)	60.1 % (415 of 691)	73.0 % (368 of 504)	99.2 % (128 of 129)
Backbone	66.1 % (444 of 672)	49.1 % (114 of 232)	67.0 % (221 of 330)	99.1 % (109 of 110)
Sidechain	75.5 % (571 of 756)	65.6 % (301 of 459)	90.3 % (251 of 278)	100.0 % (19 of 19)
Aromatic	43.3 % (58 of 134)	26.9 % (18 of 67)	59.1 % (39 of 66)	100.0 % (1 of 1)
Methyl	51.2 % (44 of 86)	2.3 % (1 of 43)	100.0 % (43 of 43)

1. Prion Protein

GSVVGGLGGY MLGSAMSRPM IHFGNDWEDR YYRENMNRYP NQVYYRPVDQ YNNQNNFVHD CVNITIKQHT VTTTTKGENF TETDVKMMER VVEQMCVTQY QKESQAYYEG RSS

Show sample condition

Sample #1

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

#	Name	Isotope labeling	Concentration
1	Prion Protein	[U-99% 15N]	1 mM
2	D2O	natural abundance	10 %
3	H2O	natural abundance	90 %
4	sodium acetate	[U-2H]	10 mM
5	H2O	natural abundance	90 %
6	D2O	[U-100% 2H]	10 %

Sample #2

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

#	Name	Isotope labeling	Concentration
7	Prion Protein	[U-99% 13C; U-99% 15N]	1 mM
8	D2O	natural abundance	10 %
9	H2O	natural abundance	90 %
10	sodium acetate	[U-2H]	10 mM
11	H2O	natural abundance	90 %
12	D2O	[U-100% 2H]	10 %

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: 0.0 ppm, Outliers: 2 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: 0.0 ppm, Outliers: 2 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: 0.01 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2K56, Strand ID: A Detail

Release date

2008-09-11

Citation

NMR structure of the bank vole prion protein at 20 degrees C contains a structured loop of residues 165-171
Christen, B., Perez, D.R., Hornemann, S., Wuthrich, K.
J. Mol. Biol. (2008), 383, 306-312, PubMed 18773909 , DOI 10.1016/j.jmb.2008.08.045 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 15845 released on 2008-09-11
Title Mouse Prion Protein (121-231) with Mutation S170N

Related entities 1. Prion Protein, : 1 : 156 entities Detail

Interaction partners 1. Prion Protein, : 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	bmr15824_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 58.616, CB 40.455 ppm	oxidized, CA 59.944, CB 41.637 ppm	n/a

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

None

Non-standard residues

None

Content subtype: bmr15824_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	bvPrP-BMRB.prot	Warning	913		100.0 (chain: 1, length: 113)
1	Chemical shift references	chemical_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: bvPrP-BMRB.prot
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 113, Sequence coverage: 100.0%
- Total number of assignments
  - ¹³C chemical shifts: 364
  - ¹H chemical shifts: 414
  - ¹⁵N chemical shifts: 135
- 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	6.428
65	THR	HG1	6.465

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	504	364	72.2
¹H chemical shifts	691	412	59.6
¹⁵N chemical shifts	136	135	99.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	226	113	50.0
¹H chemical shifts	232	108	46.6
¹⁵N chemical shifts	110	109	99.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	278	251	90.3
¹H chemical shifts	459	304	66.2
¹⁵N chemical shifts	26	26	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	66	39	59.1
¹H chemical shifts	67	18	26.9
¹⁵N chemical shifts	1	1	100.0

Keywords Prion Protein

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Found 1 Document (1.153 seconds)

BMRB: 15824

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. Prion Protein, : 1 : 156 entities Detail

Interaction partners 1. Prion Protein, : 36 interactors Detail

Experiments performed 2 experiments Detail

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail