BMRBj - BMREntryMaster

Found 1 Document (2.135 seconds)

BMRB: 4434

1QM0

NMR Solution Structure of the Human Prion Protein

Authors

Zahn, R., Aizhuo, L., Luhrs, T., Calzolai, L., von Schroetter, C., Lopez Garcia, F., Riek, R., Wider, G., Billeter, M., Wuthrich, K.

Assembly

Human prion protein fragment 90-230

Entity

1. Human prion protein fragment 90-230 (polymer, Thiol state: all disulfide bound), 143 monomers, 16204.86 Da Detail

GSGQGGGTHS QWNKPSKPKT NMKHMAGAAA AGAVVGGLGG YMLGSAMSRP IIHFGSDYED RYYRENMHRY PNQVYYRPMD EYSNQNNFVH DCVNITIKQH TVTTTTKGEN FTETDVKMME RVVEQMCITQ YERESQAYYQ RGS

Formula weight

16204.86 Da

Entity Connection

disulfide 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS92:SG	1:CYS127:SG

Source organism

Homo sapiens

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 89.3 %, Completeness (bb): 84.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	89.3 % (1457 of 1632)	97.5 % (831 of 852)	76.1 % (474 of 623)	96.8 % (152 of 157)
Backbone	84.8 % (719 of 848)	97.3 % (288 of 296)	72.0 % (298 of 414)	96.4 % (133 of 138)
Sidechain	94.6 % (863 of 912)	97.7 % (543 of 556)	89.3 % (301 of 337)	100.0 % (19 of 19)
Aromatic	75.3 % (116 of 154)	92.2 % (71 of 77)	57.9 % (44 of 76)	100.0 % (1 of 1)
Methyl	100.0 % (102 of 102)	100.0 % (51 of 51)	100.0 % (51 of 51)

1. human prion protein

GSGQGGGTHS QWNKPSKPKT NMKHMAGAAA AGAVVGGLGG YMLGSAMSRP IIHFGSDYED RYYRENMHRY PNQVYYRPMD EYSNQNNFVH DCVNITIKQH TVTTTTKGEN FTETDVKMME RVVEQMCITQ YERESQAYYQ RGS

Show sample condition

Sample #1

Temperature 293 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	human prion protein			2.0 mM

Sample #2

Temperature 293 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	human prion protein	[U-15N]		2.0 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]		2.0 mM

LACS Plot; CA

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

Referencing offset: 0.29 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: 0.29 ppm, Outliers: 1 Detail

LACS Plot; HA

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

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 90-230, : 1 : 1 : 15 : 84 entities Detail

Interaction partners 1. Human prion protein fragment 90-230, : 73 interactors Detail

More details for 73 interactors identified by 15 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			2.0 mM

Sample #2

Temperature 293 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	human prion protein	[U-15N]		2.0 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]		2.0 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			2.0 mM

Sample #2

Temperature 293 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	human prion protein	[U-15N]		2.0 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]		2.0 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			2.0 mM

Sample #2

Temperature 293 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	human prion protein	[U-15N]		2.0 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]		2.0 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			2.0 mM

Sample #2

Temperature 293 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	human prion protein	[U-15N]		2.0 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]		2.0 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			2.0 mM

Sample #2

Temperature 293 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	human prion protein	[U-15N]		2.0 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]		2.0 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			2.0 mM

Sample #2

Temperature 293 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	human prion protein	[U-15N]		2.0 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]		2.0 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4434_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)
1:92:CYS:SG	1:127:CYS:SG	oxidized, CA 58.5, CB 40.3 ppm	oxidized, CA 59.8, CB 41.6 ppm	n/a

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

None

Non-standard residues

None

Content subtype: bmr4434_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	CSS	Warning	1555		100.0 (chain: 1, length: 143)
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: 143, Sequence coverage: 100.0%
- Total number of assignments
  - ¹³C chemical shifts: 441
  - ¹H chemical shifts: 954
  - ¹⁵N chemical shifts: 160
- 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	623	441	70.8
¹H chemical shifts	852	833	97.8
¹⁵N chemical shifts	165	160	97.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	286	141	49.3
¹H chemical shifts	296	289	97.6
¹⁵N chemical shifts	138	133	96.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	337	300	89.0
¹H chemical shifts	556	544	97.8
¹⁵N chemical shifts	27	27	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	76	42	55.3
¹H chemical shifts	77	71	92.2
¹⁵N chemical shifts	1	1	100.0

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Found 1 Document (2.135 seconds)

BMRB: 4434

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Human prion protein fragment 90-230, : 1 : 1 : 15 : 84 entities Detail

Interaction partners 1. Human prion protein fragment 90-230, : 73 interactors Detail

Experiments performed 6 experiments Detail

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Chemical shift validation 3 contents Detail