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BMRB: 51091

7QAB

1H, 13C, and 15N Chemical Shift Assignments for Perna viridis foot protein 5b

Authors

Venturella, F., Morando, M.A., Alfano, C.

Assembly

pvfp5b

Entity

1. pvfp5b (polymer, Thiol state: all disulfide bound), 83 monomers, 9502.856 Da Detail

GVYYPNPCSP YPCRNGGTCK KRGLYSYKCY CRKGYTGKNC QYNACFPNPC LNGGTCGYVY GYPYYKCSCP YGYYGKQCQL KKY

Formula weight

9502.856 Da

Source organism

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.8 %, Completeness: 93.0 %, Completeness (bb): 96.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	93.0 % (916 of 985)	92.7 % (482 of 520)	95.5 % (361 of 378)	83.9 % (73 of 87)
Backbone	96.3 % (464 of 482)	97.1 % (165 of 170)	95.4 % (226 of 237)	97.3 % (73 of 75)
Sidechain	90.9 % (522 of 574)	90.6 % (317 of 350)	96.7 % (205 of 212)	0.0 % (0 of 12)
Aromatic	100.0 % (146 of 146)	100.0 % (73 of 73)	100.0 % (73 of 73)
Methyl	100.0 % (28 of 28)	100.0 % (14 of 14)	100.0 % (14 of 14)

1. entity 1

GVYYPNPCSP YPCRNGGTCK KRGLYSYKCY CRKGYTGKNC QYNACFPNPC LNGGTCGYVY GYPYYKCSCP YGYYGKQCQL KKY

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	Pvfp5b	[U-98% 13C; U-98% 15N]		0.65 mM

Release date

2021-09-19

Citation

Solution structure of recombinant Pvfp-5β reveals insights into mussel adhesion
Morando, M.A., Venturella, F., Sollazzo, M., Monaca, E., Sabbatella, R., Vetri, V., Passantino, R., Pastore, A., Alfano, C.
Commun. Biol. (2022), 5, 739-739, PubMed 35879391 , DOI 10.1038/s42003-022-03699-w , Abstract

Related entities 1. pvfp5b, : 1 : 1747 entities Detail

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE NEO - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	Pvfp5b	[U-98% 13C; U-98% 15N]		0.65 mM

2 2D 1H-13C HSQC

Instrument

Bruker AVANCE NEO - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	Pvfp5b	[U-98% 13C; U-98% 15N]		0.65 mM

3 3D CBCA(CO)NH

Instrument

Bruker AVANCE NEO - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	Pvfp5b	[U-98% 13C; U-98% 15N]		0.65 mM

4 3D CBCANH

Instrument

Bruker AVANCE NEO - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	Pvfp5b	[U-98% 13C; U-98% 15N]		0.65 mM

5 3D HNCO

Instrument

Bruker AVANCE NEO - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	Pvfp5b	[U-98% 13C; U-98% 15N]		0.65 mM

6 3D HNCA

Instrument

Bruker AVANCE NEO - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	Pvfp5b	[U-98% 13C; U-98% 15N]		0.65 mM

7 3D HBHANH

Instrument

Bruker AVANCE NEO - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	Pvfp5b	[U-98% 13C; U-98% 15N]		0.65 mM

8 3D HBHA(CO)NH

Instrument

Bruker AVANCE NEO - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	Pvfp5b	[U-98% 13C; U-98% 15N]		0.65 mM

9 3D HCCH-TOCSY

Instrument

Bruker AVANCE NEO - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	Pvfp5b	[U-98% 13C; U-98% 15N]		0.65 mM

10 2D HBCBCGCDCEHE

Instrument

Bruker AVANCE NEO - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	Pvfp5b	[U-98% 13C; U-98% 15N]		0.65 mM

11 2D HBCBCGCDHD

Instrument

Bruker AVANCE NEO - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	Pvfp5b	[U-98% 13C; U-98% 15N]		0.65 mM

12 3D 1H-13C NOESY aliphatic

Instrument

Bruker AVANCE NEO - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	Pvfp5b	[U-98% 13C; U-98% 15N]		0.65 mM

13 3D 1H-13C NOESY aromatic

Instrument

Bruker AVANCE NEO - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	Pvfp5b	[U-98% 13C; U-98% 15N]		0.65 mM

14 3D 1H-15N NOESY

Instrument

Bruker AVANCE NEO - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	Pvfp5b	[U-98% 13C; U-98% 15N]		0.65 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr51091_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: bmr51091_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	944		98.8 (chain: 1, length: 83)
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: 83, Sequence coverage: 98.8%
- Total number of assignments
  - ¹³C chemical shifts: 361
  - ¹H chemical shifts: 510
  - ¹⁵N chemical shifts: 73
- 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