BMRB Entry 53411

Name: Chemical Shifts of RIPK1 N545D RHIM in 20 mM MES
Published: 2026-01-20

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53411

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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:

Chemical Shifts of RIPK1 N545D RHIM in 20 mM MES

Deposition date:

2025-10-31

Original release date:

2026-01-20

Authors:

Polonio, Paula

Citation:

Citation: Polonio, Paula; Titaux-Delgado, Gustavo; Mompean, Miguel. "Helical conformational tendencies in RIPK1 reveal early structural organization that may precede amyloid assembly" Protein Sci. ., .-..

Assembly members:

Assembly members:
entity_1, polymer, 107 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-11a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MGSDKIHHHHHHENLYFQGH MPSLHNIPVPETNYLGNTPT MPFSSLPPTDESIKYTIYNS TGIQIGAYDYMEIGGTSSSL LDSTNTNFKEEPAAKYQAIF DNTTSLT

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	221
15N chemical shifts	91
1H chemical shifts	92

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	RIPK1 N545D RHIM	1

Entities:

Entity 1, RIPK1 N545D RHIM 107 residues - Formula weight is not available

1

MET

GLY

SER

ASP

LYS

ILE

HIS

2

HIS

GLU

ASN

LEU

TYR

PHE

GLN

GLY

HIS

3

MET

PRO

SER

LEU

HIS

ASN

ILE

PRO

VAL

PRO

4

GLU

THR

ASN

TYR

LEU

GLY

ASN

THR

PRO

THR

5

MET

PRO

PHE

SER

LEU

PRO

THR

ASP

6

GLU

SER

ILE

LYS

TYR

THR

ILE

TYR

ASN

SER

7

THR

GLY

ILE

GLN

ILE

GLY

ALA

TYR

ASP

TYR

8

MET

GLU

ILE

GLY

THR

SER

LEU

9

LEU

ASP

SER

THR

ASN

THR

ASN

PHE

LYS

GLU

10

GLU

PRO

ALA

LYS

TYR

GLN

ALA

ILE

PHE

11

ASP

ASN

THR

SER

LEU

THR

Samples:

sample_1: RHIM of human RIPK1 N545D, [U-99% 13C; U-99% 15N], 21 uM; MES 20 mM; D2O 5%; H2O 95%

sample_conditions_1: ionic strength: 20 mM; pH: 6.6; pressure: 1 atm; temperature: 298 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 CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D (H)N(COCA)NH	sample_1	isotropic	sample_conditions_1
3D H(NCOCA)NH	sample_1	isotropic	sample_conditions_1

Software:

CcpNMR - chemical shift assignment, peak picking

TOPSPIN - collection, processing

NMR spectrometers:

Bruker AVANCE NEO 800 MHz

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