BMRB Entry 30128

Name: Solution NMR Structure of Denovo Beta Sheet Design Protein, Northeast Structural Genomics Consortium (NESG) Target OR664
Published: 2016-09-16

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PDB ID: 5kpe
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30128
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Solution NMR Structure of Denovo Beta Sheet Design Protein, Northeast Structural Genomics Consortium (NESG) Target OR664

Deposition date: 2016-07-03 Original release date: 2016-09-16

Authors: Tang, Yuefeng; Liu, G.; Montelione, G.; Northeast Structural Genomics Consortium (NESG), NESG

Citation: Tang, Yuefeng; Liu, G.; Montelione, G.. "Solution NMR Structure of Denovo Beta Sheet Design Protein, Northeast Structural Genomics Consortium (NESG) Target OR664" . ., .-..

Assembly members:
entity_1, polymer, 120 residues, 13593.999 Da.

Natural source: Common Name: not available Taxonomy ID: 32630 Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source: Production method: recombinant technology Host organism: Escherichia coli

Entity Sequences (FASTA):
entity_1: MQDIVEAAKQAAIAIFQLWK NPTDPEAQELLNKILSPDVL DQVREHARELQKQGIHFEVK RVEVTTDGNTVNVTVELEET TGGTTTNTTYELRFEVDGDT IRRVTVTQNGGSLEHHHHHH

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	384
15N chemical shifts	121
1H chemical shifts	804

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCOCACB	sample_1	isotropic	sample_conditions_1
3D SIMUTANEOUS 13C-AROMATIC,13C- ALIPHATIC,15N EDITED 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts

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

Biological Magnetic Resonance Data Bank

BMRB Entry 30128

Title: Solution NMR Structure of Denovo Beta Sheet Design Protein, Northeast Structural Genomics Consortium (NESG) Target OR664

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

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

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

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