BMRB Entry 30494

Name: NMR Data for Solution NMR Structures of Protein PF2048.1
Published: 2018-08-10

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PDB ID: 6e4j
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30494
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:

NMR Data for Solution NMR Structures of Protein PF2048.1

Deposition date:

2018-07-17

Original release date:

2018-08-10

Authors:

Daigham, N.; Liu, G.; Swapna, G.; Cole, C.; Valafar, H.; Montelione, G.

Citation:

Citation: Cole, C.; Daigham, N.; Liu, G.; Montelione, G.; Valafar, H.. "REDCRAFT: A Computational Platform Using Residual Dipolar Coupling NMR Data for Determining Structures of Perdeuterated Proteins Without NOEs" .

Assembly members:

Assembly members:
entity_1, polymer, 80 residues, 9310.680 Da.

Natural source:

Natural source: Common Name: Pyrococcus furiosus Taxonomy ID: 1185654 Superkingdom: Archaea Kingdom: not available Genus/species: Pyrococcus furiosus

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MAHHHHHHGSVVKEKLEKAL IEVRPYVEYYNELKALVSKI SSSVNDLEEAIVVLREEEKK ASEPFKTDIRILLDFLESKP

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list
- spectral_peak_list_1
- spectral_peak_list_2

Data type	Count
13C chemical shifts	263
15N chemical shifts	70
1H chemical shifts	548

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 80 residues - 9310.680 Da.

1	MET	ALA	HIS	HIS	HIS	HIS	HIS	HIS	GLY	SER
2	VAL	VAL	LYS	GLU	LYS	LEU	GLU	LYS	ALA	LEU
3	ILE	GLU	VAL	ARG	PRO	TYR	VAL	GLU	TYR	TYR
4	ASN	GLU	LEU	LYS	ALA	LEU	VAL	SER	LYS	ILE
5	SER	SER	SER	VAL	ASN	ASP	LEU	GLU	GLU	ALA
6	ILE	VAL	VAL	LEU	ARG	GLU	GLU	GLU	LYS	LYS
7	ALA	SER	GLU	PRO	PHE	LYS	THR	ASP	ILE	ARG
8	ILE	LEU	LEU	ASP	PHE	LEU	GLU	SER	LYS	PRO

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D CCH-TOSCY	sample_1	isotropic	sample_conditions_1
3D N15-TOCSY	sample_1	isotropic	sample_conditions_1
3D simultaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY	sample_1	isotropic	sample_conditions_1

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

BMRB Entry 30494

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

1	MET	ALA	HIS	HIS	HIS	HIS	HIS	HIS	GLY	SER
2	VAL	VAL	LYS	GLU	LYS	LEU	GLU	LYS	ALA	LEU
3	ILE	GLU	VAL	ARG	PRO	TYR	VAL	GLU	TYR	TYR
4	ASN	GLU	LEU	LYS	ALA	LEU	VAL	SER	LYS	ILE
5	SER	SER	SER	VAL	ASN	ASP	LEU	GLU	GLU	ALA
6	ILE	VAL	VAL	LEU	ARG	GLU	GLU	GLU	LYS	LYS
7	ALA	SER	GLU	PRO	PHE	LYS	THR	ASP	ILE	ARG
8	ILE	LEU	LEU	ASP	PHE	LEU	GLU	SER	LYS	PRO

1	MET	ALA	HIS	HIS	HIS	HIS	HIS	HIS	GLY	SER
2	VAL	VAL	LYS	GLU	LYS	LEU	GLU	LYS	ALA	LEU
3	ILE	GLU	VAL	ARG	PRO	TYR	VAL	GLU	TYR	TYR
4	ASN	GLU	LEU	LYS	ALA	LEU	VAL	SER	LYS	ILE
5	SER	SER	SER	VAL	ASN	ASP	LEU	GLU	GLU	ALA
6	ILE	VAL	VAL	LEU	ARG	GLU	GLU	GLU	LYS	LYS
7	ALA	SER	GLU	PRO	PHE	LYS	THR	ASP	ILE	ARG
8	ILE	LEU	LEU	ASP	PHE	LEU	GLU	SER	LYS	PRO

1	MET	ALA	HIS	HIS	HIS	HIS	HIS	HIS	GLY	SER
2	VAL	VAL	LYS	GLU	LYS	LEU	GLU	LYS	ALA	LEU
3	ILE	GLU	VAL	ARG	PRO	TYR	VAL	GLU	TYR	TYR
4	ASN	GLU	LEU	LYS	ALA	LEU	VAL	SER	LYS	ILE
5	SER	SER	SER	VAL	ASN	ASP	LEU	GLU	GLU	ALA
6	ILE	VAL	VAL	LEU	ARG	GLU	GLU	GLU	LYS	LYS
7	ALA	SER	GLU	PRO	PHE	LYS	THR	ASP	ILE	ARG
8	ILE	LEU	LEU	ASP	PHE	LEU	GLU	SER	LYS	PRO