Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR54014

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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:

Bri2 BRICHOS R221E monomer

Deposition date:

2026-09-15

Original release date:

2026-09-17

Authors:

Liebau, Jobst; Abelein, Axel

Citation:

Citation: Abelein, Axel. "The role of conformational dynamics in anti-amyloid Bri2 BRICHOS chaperone activity " .

Assembly members:

Assembly members:
entity_1, polymer, 121 residues, Formula weight is not available

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: peT

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GSQTIEENIKIFEEEEVEFI SVPVPEFADSDPANIVHDFN KKLTAYLDLNLDKCYVIPLN TSIVMPPRNLLELLINIKAG TYLPQSYLIHEHMVITDRIE NIDHLGFFIYELCHDKETYK L

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
- assigned_chemical_shifts_2

Data type	Count
13C chemical shifts	355
15N chemical shifts	122
1H chemical shifts	122

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Bri2 BRICHOS R221E monomer	1

Entities:

Entity 1, Bri2 BRICHOS R221E monomer 121 residues - Formula weight is not available

1

GLY

SER

GLN

THR

ILE

GLU

ASN

ILE

LYS

2

ILE

PHE

GLU

VAL

GLU

PHE

ILE

3

SER

VAL

PRO

VAL

PRO

GLU

PHE

ALA

ASP

SER

4

ASP

PRO

ALA

ASN

ILE

VAL

HIS

ASP

PHE

ASN

5

LYS

LEU

THR

ALA

TYR

LEU

ASP

LEU

ASN

6

LEU

ASP

LYS

CYS

TYR

VAL

ILE

PRO

LEU

ASN

7

THR

SER

ILE

VAL

MET

PRO

ARG

ASN

LEU

8

LEU

GLU

LEU

ILE

ASN

ILE

LYS

ALA

GLY

9

THR

TYR

LEU

PRO

GLN

SER

TYR

LEU

ILE

HIS

10

GLU

HIS

MET

VAL

ILE

THR

ASP

ARG

ILE

GLU

11

ASN

ILE

ASP

HIS

LEU

GLY

PHE

ILE

TYR

12

GLU

LEU

CYS

HIS

ASP

LYS

GLU

THR

TYR

LYS

13

LEU

Samples:

sample_1: Bri2 BRICHOS R221E monomer, [U-98% 13C; U-98% 15N], 336 uM; sodium phosphate buffer 20 mM; EDTA 0.2 mM; NaN3 0.02%

sample_2: Bri2 BRICHOS R221E monomer, [U-98% 13C; U-98% 15N], 336 uM; sodium phosphate buffer 20 mM; EDTA 0.2 mM; NaN3 0.02%; D25-SDS 15.5%

sample_conditions_1: ionic strength: 20 mM; pH: 7.2; pressure: 1 atm; temperature: 298 K

sample_conditions_2: ionic strength: 20 mM; pH: 7.2; pressure: 1 atm; temperature: 310 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCACO	sample_1	isotropic	sample_conditions_1
3D HNcoCA	sample_1	isotropic	sample_conditions_1
3D HNcoCACB	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_2
3D HNCA	sample_2	isotropic	sample_conditions_2
3D HNCACB	sample_2	isotropic	sample_conditions_2
3D HNCO	sample_2	isotropic	sample_conditions_2
3D HNCACO	sample_2	isotropic	sample_conditions_2
3D HNcoCA	sample_2	isotropic	sample_conditions_2
3D HNcoCACB	sample_2	isotropic	sample_conditions_2

Software:

NMRFAM-SPARKY - chemical shift assignment

CYANA vcyana-3.98.15 - chemical shift assignment

NMRPipe - processing

NMR spectrometers:

Bruker AVANCE III 800 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks

BMRB Entry 54014