BMRB Entry 36327

Name: Solution NMR structure of NF1; de novo designed protein with a novel fold
Published: 2022-05-24

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PDB ID: 7bpl
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36327
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:

Solution NMR structure of NF1; de novo designed protein with a novel fold

Deposition date:

2020-03-23

Original release date:

2022-05-24

Authors:

Kobayashi, N.; Sugiki, T.; Fujiwara, T.; Minami, S.; Koga, R.; Chikenji, G.; Koga, N.

Citation:

Citation: Minami, S.; Kobayashi, N.; Sugiki, T.; Nagashima, T.; Fujiwara, T.; Koga, R.; Chikenji, G.; Koga, N.. "Exploration of novel alpha-beta protein folds through de novo design" Nat. Struct. Mol. Biol. 30, 1132-1140 (2023).
PubMed: 37400653

Assembly members:

Assembly members:
entity_1, polymer, 110 residues, 12525.046 Da.

Natural source:

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

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GDADKIMEQAKRQDPNAQVY KVTTPDEIEEAVRRIEKYGA QVVLIIYTSSGIVILVAVRD PSQADQILKEAKKQNPSATF VRLEGVSPDDLRRQVEDVWR GSLEHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list

Data type	Count
13C chemical shifts	457
15N chemical shifts	104
1H chemical shifts	743

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_1 110 residues - 12525.046 Da.

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

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 HNCO	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY aliphatic	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY aromatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1
2D IPAP-HSQC	sample_1	isotropic	sample_conditions_1
2D IPAP-HSQC	sample_2	anisotropic	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 36327

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

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

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

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