BMRB Entry 36332

Name: Solution NMR structure of NF4; de novo designed protein with a novel fold
Published: 2021-03-29

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PDB ID: 7bqc
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36332
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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 NF4; de novo designed protein with a novel fold

Deposition date:

2020-03-24

Original release date:

2021-03-29

Authors:

Kobayashi, N.; Nagashima, T.; Minami, S.; Koga, R.; Chikenji, T.; 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, 125 residues, 14838.945 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: GSEEIRELVRKIYETVRKEN PNVKILIFIIFTSDGTIKVI IVIIADDPNDAKRIVKKIQE RFPKLTIKQSRNEEEAEKRI QKELEERNPNAEIQVVRSED ELKEILDKLDEKKGSWSLEH HHHHH

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	540
15N chemical shifts	123
1H chemical shifts	835

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_1 125 residues - 14838.945 Da.

1

GLY

SER

GLU

ILE

ARG

GLU

LEU

VAL

ARG

2

LYS

ILE

TYR

GLU

THR

VAL

ARG

LYS

GLU

ASN

3

PRO

ASN

VAL

LYS

ILE

LEU

ILE

PHE

ILE

4

PHE

THR

SER

ASP

GLY

THR

ILE

LYS

VAL

ILE

5

ILE

VAL

ILE

ALA

ASP

PRO

ASN

ASP

6

ALA

LYS

ARG

ILE

VAL

LYS

ILE

GLN

GLU

7

ARG

PHE

PRO

LYS

LEU

THR

ILE

LYS

GLN

SER

8

ARG

ASN

GLU

ALA

GLU

LYS

ARG

ILE

9

GLN

LYS

GLU

LEU

GLU

ARG

ASN

PRO

ASN

10

ALA

GLU

ILE

GLN

VAL

ARG

SER

GLU

ASP

11

GLU

LEU

LYS

GLU

ILE

LEU

ASP

LYS

LEU

ASP

12

GLU

LYS

GLY

SER

TRP

SER

LEU

GLU

HIS

13

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 HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY aliphatic	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 36332

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers: