BMRB Entry 50763

Name: ARNT PAS-B Y456T sequence unfolded in 8M urea
Published: 2021-03-10

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50763

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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:

ARNT PAS-B Y456T sequence unfolded in 8M urea

Deposition date:

2021-02-12

Original release date:

2021-03-10

Authors:

Xu, Xingjian; Dikiy, Igor; Evans, Matthew; Marcelino, Leandro; Gardner, Kevin

Citation:

Citation: Xu, Xingjian; Dikiy, Igor; Evans, Matthew; Marcelino, Leandro; Gardner, Kevin. "Fragile protein folds: sequence and environmental factors affecting the equilibrium of two interconverting, stably folded protein conformations" Magn. Reson. 2, 63-76 (2021).

Assembly members:

Assembly members:
entity_1, polymer, 119 residues, 13880.67 Da.

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pHis-parallel

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GAMDNVCQPTEFISRHNIEG IFTFVDHRCVATVGYQPQEL LGKNIVEFCHPEDQQLLRDS FQQVVKLKGQVLSVMFRFRS KNQEWLWMRTSSFTFQNPYS DEIETIICTNTNVKNSSQE

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	349
15N chemical shifts	112
1H chemical shifts	112

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	ARNT PAS-B Y456T urea unfolded	1

Entities:

Entity 1, ARNT PAS-B Y456T urea unfolded 119 residues - 13880.67 Da.

N-terminal 4 residues (GAMD) are vector-derived; remaining sequence is residues 356-470 from human ARNT protein.

1

GLY

ALA

MET

ASP

ASN

VAL

CYS

GLN

PRO

THR

2

GLU

PHE

ILE

SER

ARG

HIS

ASN

ILE

GLU

GLY

3

ILE

PHE

THR

PHE

VAL

ASP

HIS

ARG

CYS

VAL

4

ALA

THR

VAL

GLY

TYR

GLN

PRO

GLN

GLU

LEU

5

LEU

GLY

LYS

ASN

ILE

VAL

GLU

PHE

CYS

HIS

6

PRO

GLU

ASP

GLN

LEU

ARG

ASP

SER

7

PHE

GLN

VAL

LYS

LEU

LYS

GLY

GLN

8

VAL

LEU

SER

VAL

MET

PHE

ARG

PHE

ARG

SER

9

LYS

ASN

GLN

GLU

TRP

LEU

TRP

MET

ARG

THR

10

SER

PHE

THR

PHE

GLN

ASN

PRO

TYR

SER

11

ASP

GLU

ILE

GLU

THR

ILE

CYS

THR

ASN

12

THR

ASN

VAL

LYS

ASN

SER

GLN

GLU

Samples:

sample_1: ARNT PAS-B Y456T, [U-99% 13C; U-99% 15N], 500 uM; urea 8 M; TRIS 50 mM; sodium chloride 20 mM; beta-mercaptoethanol 5 mM

sample_conditions_1: pH: 7.5; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1

Software:

NMRViewJ - chemical shift assignment

NMRPipe - processing

VNMRj - collection

NMR spectrometers:

Varian INOVA 800 MHz

UNP	P27540
AlphaFold	Q8NDC7