BMRB Entry 53401

Name: Chemical shifts and relaxation data of RIPK1 RHIM in SDS
Published: 2026-01-20

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53401

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Chemical shifts and relaxation data of RIPK1 RHIM in SDS

Deposition date:

2025-10-22

Original release date:

2026-01-20

Authors:

Polonio, Paula

Citation:

Citation: Polonio, Paula; Titaux-Delgado, Gustavo; Mompean, Miguel. "Unravelling conformation tendencies in RIPK1 prior amyloid formation" 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 TGIQIGAYNYMEIGGTSSSL LDSTNTNFKEEPAAKYQAIF DNTTSLT

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
coupling_constants
- coupling_constants_1
heteronucl_NOEs
- heteronucl_NOEs_1
heteronucl_T1_relaxation
- heteronucl_T1_relaxation_1
heteronucl_T1rho_relaxation
- heteronucl_T1rho_relaxation_1

Data type	Count
13C chemical shifts	310
15N chemical shifts	91
1H chemical shifts	334
T1 relaxation values	88
T1rho relaxation values	88
coupling constants	85
heteronuclear NOE values	87

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	RIPK1 RHIM	1

Entities:

Entity 1, RIPK1 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

ASN

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, [U-99% 13C; U-99% 15N], 290 uM; SDS 17 mM; D2O 5%; TRIS 50 mM; H2O 95%

sample_conditions_1: ionic strength: 0 M; pH: 7.6; 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 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 C(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNHA	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
T1/R1 relaxation	sample_1	isotropic	sample_conditions_1
T1rho/R1rho relaxation	sample_1	isotropic	sample_conditions_1
1H-15N heteronoe	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN - collection, processing

SPARKY - chemical shift assignment, peak picking

Dynamics Center - data analysis

NMR spectrometers:

Bruker Avance 800 MHz

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