BMRB Entry 31016

Name: Pis v 3.0101 vicilin leader sequence residues 56-115
Published: 2023-03-27

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PDB ID: 7uv4
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR31016
MolProbity Validation Chart

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Pis v 3.0101 vicilin leader sequence residues 56-115

Deposition date:

2022-04-29

Original release date:

2023-03-27

Authors:

Mueller, G.; Foo, A.; DeRose, E.

Citation:

Citation: Mueller, G.; Foo, A.; DeRose, E.. "Pis v 3.0101 vicilin leader sequence residues 56-115" .

Assembly members:

Assembly members:
entity_1, polymer, 60 residues, 7309.122 Da.

Natural source:

Natural source: Common Name: Pistacia vera Taxonomy ID: 55513 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Pistacia vera

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GRGDEFSTHEPGEKRLSQCM KQCERQDGGQQKQLCRFRCQ EKYKKERREHSYSRDEELEL

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list

Data type	Count
13C chemical shifts	181
15N chemical shifts	55
1H chemical shifts	287

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 60 residues - 7309.122 Da.

1	GLY	ARG	GLY	ASP	GLU	PHE	SER	THR	HIS	GLU
2	PRO	GLY	GLU	LYS	ARG	LEU	SER	GLN	CYS	MET
3	LYS	GLN	CYS	GLU	ARG	GLN	ASP	GLY	GLY	GLN
4	GLN	LYS	GLN	LEU	CYS	ARG	PHE	ARG	CYS	GLN
5	GLU	LYS	TYR	LYS	LYS	GLU	ARG	ARG	GLU	HIS
6	SER	TYR	SER	ARG	ASP	GLU	GLU	LEU	GLU	LEU

Samples:

sample_1: entity_1 mM; DSS 50 uM

sample_conditions_1: ionic strength: 150 mM; pH: 7.5; pressure: 1 atm; temperature: 298.15 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_1	isotropic	sample_conditions_1

Software:

NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

TALOS, Cornilescu, Delaglio and Bax - structure calculation

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

NMR spectrometers:

Varian INOVA 800 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks

1	GLY	ARG	GLY	ASP	GLU	PHE	SER	THR	HIS	GLU
2	PRO	GLY	GLU	LYS	ARG	LEU	SER	GLN	CYS	MET
3	LYS	GLN	CYS	GLU	ARG	GLN	ASP	GLY	GLY	GLN
4	GLN	LYS	GLN	LEU	CYS	ARG	PHE	ARG	CYS	GLN
5	GLU	LYS	TYR	LYS	LYS	GLU	ARG	ARG	GLU	HIS
6	SER	TYR	SER	ARG	ASP	GLU	GLU	LEU	GLU	LEU

1	GLY	ARG	GLY	ASP	GLU	PHE	SER	THR	HIS	GLU
2	PRO	GLY	GLU	LYS	ARG	LEU	SER	GLN	CYS	MET
3	LYS	GLN	CYS	GLU	ARG	GLN	ASP	GLY	GLY	GLN
4	GLN	LYS	GLN	LEU	CYS	ARG	PHE	ARG	CYS	GLN
5	GLU	LYS	TYR	LYS	LYS	GLU	ARG	ARG	GLU	HIS
6	SER	TYR	SER	ARG	ASP	GLU	GLU	LEU	GLU	LEU

1	GLY	ARG	GLY	ASP	GLU	PHE	SER	THR	HIS	GLU
2	PRO	GLY	GLU	LYS	ARG	LEU	SER	GLN	CYS	MET
3	LYS	GLN	CYS	GLU	ARG	GLN	ASP	GLY	GLY	GLN
4	GLN	LYS	GLN	LEU	CYS	ARG	PHE	ARG	CYS	GLN
5	GLU	LYS	TYR	LYS	LYS	GLU	ARG	ARG	GLU	HIS
6	SER	TYR	SER	ARG	ASP	GLU	GLU	LEU	GLU	LEU