BMRB Entry 36333

Name: Solution NMR structure of NF8 (knot fold); de novo designed protein with a novel fold
Published: 2021-03-29

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PDB ID: 7bqd
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36333
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 NF8 (knot fold); de novo designed protein with a novel fold

Deposition date:

2020-03-24

Original release date:

2021-03-29

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, 88 residues, 10296.638 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: GTILIFLDKNKEQAEKLAKE VGVTEIYESDNLEELYREIK ERIERENPNATILTVTDPNE LKKIQDEGKVDRIILLIKGS LEHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	371
15N chemical shifts	84
1H chemical shifts	588

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 88 residues - 10296.638 Da.

1

GLY

THR

ILE

LEU

ILE

PHE

LEU

ASP

LYS

ASN

2

LYS

GLU

GLN

ALA

GLU

LYS

LEU

ALA

LYS

GLU

3

VAL

GLY

VAL

THR

GLU

ILE

TYR

GLU

SER

ASP

4

ASN

LEU

GLU

LEU

TYR

ARG

GLU

ILE

LYS

5

GLU

ARG

ILE

GLU

ARG

GLU

ASN

PRO

ASN

ALA

6

THR

ILE

LEU

THR

VAL

THR

ASP

PRO

ASN

GLU

7

LEU

LYS

ILE

GLN

ASP

GLU

GLY

LYS

VAL

8

ASP

ARG

ILE

LEU

ILE

LYS

GLY

SER

9

LEU

GLU

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 BEST-HNCO	sample_1	isotropic	sample_conditions_1
3D BEST-HNCACB	sample_1	isotropic	sample_conditions_1
3D BEST-HN(CO)CACB	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-15N NOESY	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 1H-15N HSQC IPAP	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC IPAP	sample_2	anisotropic	sample_conditions_1

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SPARKY: Backbone or all simulated peaks

BMRB Entry 36333

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers: