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BMRB: 50544

7FHQ

1H, 13C, 15N backbone and side-chain resonance assignments of the G131V pathogenic mutant of human prion protein

Authors

Assembly

HUPRP G131V(91-231)

Entity

1. HUPRP G131V(91-231) (polymer, Thiol state: all disulfide bound), 142 monomers, 16312.12 Da Detail

MQGGGTHSQW NKPSKPKTNM KHMAGAAAAG AVVGGLGGYM LVSAMSRPII HFGSDYEDRY YRENMHRYPN QVYYRPMYEY SNQNNFVHDC VNITIKQHTV TTTTKGENFT ETDVKMMERV VEQMCITQYE RESQAYYQRG SS

Formula weight

16312.12 Da

Entity Connection

disulfide 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS90:SG	1:CYS125:SG

Source organism

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.8 %, Completeness: 71.9 %, Completeness (bb): 91.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	71.9 % (1189 of 1654)	66.4 % (570 of 859)	78.4 % (495 of 631)	75.6 % (124 of 164)
Backbone	91.4 % (770 of 842)	89.7 % (261 of 291)	93.2 % (386 of 414)	89.8 % (123 of 137)
Sidechain	57.3 % (540 of 942)	54.4 % (309 of 568)	66.3 % (230 of 347)	3.7 % (1 of 27)
Aromatic	1.2 % (2 of 162)	1.2 % (1 of 81)	0.0 % (0 of 80)	100.0 % (1 of 1)
Methyl	86.8 % (92 of 106)	88.7 % (47 of 53)	84.9 % (45 of 53)

1. entity 1

MQGGGTHSQW NKPSKPKTNM KHMAGAAAAG AVVGGLGGYM LVSAMSRPII HFGSDYEDRY YRENMHRYPN QVYYRPMYEY SNQNNFVHDC VNITIKQHTV TTTTKGENFT ETDVKMMERV VEQMCITQYE RESQAYYQRG SS

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 277 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-100% 15N]		0.65 mM
2	entity_1	[U-100% 13C]		0.65 mM
3	D2O	[U-100% 2H]		0.05 mM
4	NaAc	natural abundance		20 mM
5	NaN3	natural abundance		0.02 %

Release date

2020-11-03

Citation

¹H, ¹³C, ¹⁵N backbone and side-chain resonance assignments of the pathogenic G131V mutant of human prion protein (91-231)
Zhang, Q., Zhang, H., Zheng, F., Liu, R., Liao, X., Guo, C., Lin, D.
Biomol. NMR Assign. (2021), 15, 311-316, PubMed 33871829 , DOI 10.1007/s12104-021-10022-x , Abstract

Related entities 1. HUPRP G131V(91-231), : 1 : 16 : 87 entities Detail

Interaction partners 1. HUPRP G131V(91-231), : 73 interactors Detail

More details for 73 interactors identified by 15 citations

Experiments performed 15 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 277 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-100% 15N]		0.65 mM
2	entity_1	[U-100% 13C]		0.65 mM
3	D2O	[U-100% 2H]		0.05 mM
4	NaAc	natural abundance		20 mM
5	NaN3	natural abundance		0.02 %

2 2D 1H-13C HSQC

Instrument

Bruker AVANCE III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 277 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-100% 15N]		0.65 mM
2	entity_1	[U-100% 13C]		0.65 mM
3	D2O	[U-100% 2H]		0.05 mM
4	NaAc	natural abundance		20 mM
5	NaN3	natural abundance		0.02 %

3 3D HNCACB

Instrument

Bruker AVANCE III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 277 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-100% 15N]		0.65 mM
2	entity_1	[U-100% 13C]		0.65 mM
3	D2O	[U-100% 2H]		0.05 mM
4	NaAc	natural abundance		20 mM
5	NaN3	natural abundance		0.02 %

4 3D CBCACONH

Instrument

Bruker AVANCE III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 277 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-100% 15N]		0.65 mM
2	entity_1	[U-100% 13C]		0.65 mM
3	D2O	[U-100% 2H]		0.05 mM
4	NaAc	natural abundance		20 mM
5	NaN3	natural abundance		0.02 %

5 3D HNCA

Instrument

Bruker AVANCE III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 277 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-100% 15N]		0.65 mM
2	entity_1	[U-100% 13C]		0.65 mM
3	D2O	[U-100% 2H]		0.05 mM
4	NaAc	natural abundance		20 mM
5	NaN3	natural abundance		0.02 %

6 3D HN(CO)CA

Instrument

Bruker AVANCE III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 277 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-100% 15N]		0.65 mM
2	entity_1	[U-100% 13C]		0.65 mM
3	D2O	[U-100% 2H]		0.05 mM
4	NaAc	natural abundance		20 mM
5	NaN3	natural abundance		0.02 %

7 3D HNCO

Instrument

Bruker AVANCE III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 277 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-100% 15N]		0.65 mM
2	entity_1	[U-100% 13C]		0.65 mM
3	D2O	[U-100% 2H]		0.05 mM
4	NaAc	natural abundance		20 mM
5	NaN3	natural abundance		0.02 %

8 3D HNCACO

Instrument

Bruker AVANCE III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 277 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-100% 15N]		0.65 mM
2	entity_1	[U-100% 13C]		0.65 mM
3	D2O	[U-100% 2H]		0.05 mM
4	NaAc	natural abundance		20 mM
5	NaN3	natural abundance		0.02 %

9 3D HBHA(CO)NH

Instrument

Bruker AVANCE III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 277 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-100% 15N]		0.65 mM
2	entity_1	[U-100% 13C]		0.65 mM
3	D2O	[U-100% 2H]		0.05 mM
4	NaAc	natural abundance		20 mM
5	NaN3	natural abundance		0.02 %

10 3D H(CCO)NH

Instrument

Bruker AVANCE III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 277 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-100% 15N]		0.65 mM
2	entity_1	[U-100% 13C]		0.65 mM
3	D2O	[U-100% 2H]		0.05 mM
4	NaAc	natural abundance		20 mM
5	NaN3	natural abundance		0.02 %

11 3D CCH-TOCSY

Instrument

Bruker AVANCE III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 277 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-100% 15N]		0.65 mM
2	entity_1	[U-100% 13C]		0.65 mM
3	D2O	[U-100% 2H]		0.05 mM
4	NaAc	natural abundance		20 mM
5	NaN3	natural abundance		0.02 %

12 3D HCCH-TOCSY

Instrument

Bruker AVANCE III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 277 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-100% 15N]		0.65 mM
2	entity_1	[U-100% 13C]		0.65 mM
3	D2O	[U-100% 2H]		0.05 mM
4	NaAc	natural abundance		20 mM
5	NaN3	natural abundance		0.02 %

13 3D 1H-15N TOCSY

Instrument

Bruker AVANCE III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 277 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-100% 15N]		0.65 mM
2	entity_1	[U-100% 13C]		0.65 mM
3	D2O	[U-100% 2H]		0.05 mM
4	NaAc	natural abundance		20 mM
5	NaN3	natural abundance		0.02 %

14 3D 15N-separated NOESY

Instrument

Bruker AVANCE III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 277 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-100% 15N]		0.65 mM
2	entity_1	[U-100% 13C]		0.65 mM
3	D2O	[U-100% 2H]		0.05 mM
4	NaAc	natural abundance		20 mM
5	NaN3	natural abundance		0.02 %

15 3D 13C-separated NOESY

Instrument

Bruker AVANCE III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 277 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-100% 15N]		0.65 mM
2	entity_1	[U-100% 13C]		0.65 mM
3	D2O	[U-100% 2H]		0.05 mM
4	NaAc	natural abundance		20 mM
5	NaN3	natural abundance		0.02 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr50544_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)
1:90:CYS:SG	1:125:CYS:SG	oxidized, CA 56.146, CB 37.593 ppm	oxidized, CA 57.313, CB 39.049 ppm	n/a

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

None

Non-standard residues

None

Content subtype: bmr50544_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1266		94.4 (chain: 1, length: 142)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 142, Sequence coverage: 94.4%
- Total number of assignments
  - ¹H chemical shifts: 650
  - ¹³C chemical shifts: 493
  - ¹⁵N chemical shifts: 123
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- 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