BMRB Entry 52226

Name: NMR chemical shifts of the human Roquin-1 ZnF domain
Published: 2024-06-24

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PDB ID: 8rhs
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52226
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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:

NMR chemical shifts of the human Roquin-1 ZnF domain

Deposition date:

2023-12-02

Original release date:

2024-06-24

Authors:

Tants, Jan-Niklas; Schlundt, Andreas

Citation:

Citation: Tants, Jan-Niklas; Oberstrass, Lasse; Weigand, Julia; Schlundt, Andreas. "Structure and RNA-binding of the helically extended Roquin CCCH-type zinc finger" Nucleic Acids Research 52, 9838-9853 (2024).
PubMed: 38953172

Assembly members:

Assembly members:
entity_1, polymer, 48 residues, Formula weight is not available
entity_ZN, non-polymer, 65.409 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: pETTrx1a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GAMAHSKYKTYMCRDMKQRG GCPRGASCTFAHSQEELEKF RKMNKRLV

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	208
15N chemical shifts	43
1H chemical shifts	324

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Znf	1
2	Zn	2

Entities:

Entity 1, Znf 48 residues - Formula weight is not available

residues 407-410 are artificial, natural sequence starts with His 411

1

GLY

ALA

MET

ALA

HIS

SER

LYS

TYR

LYS

THR

2

TYR

MET

CYS

ARG

ASP

MET

LYS

GLN

ARG

GLY

3

GLY

CYS

PRO

ARG

GLY

ALA

SER

CYS

THR

PHE

4

ALA

HIS

SER

GLN

GLU

LEU

GLU

LYS

PHE

5

ARG

LYS

MET

ASN

LYS

ARG

LEU

VAL

Entity 2, Zn - Zn - 65.409 Da.

1

ZN

Samples:

sample_1: Roquin zinc finger, [U-99% 15N], 360 uM; zinc 20 uM; sodium chloride 150 mM; TRIS 25 mM; TCEP 2 mM

sample_2: Roquin zinc finger, [U-99% 13C; U-99% 15N], 740 uM; zinc 20 uM; sodium chloride 150 mM; TRIS 25 mM; TCEP 2 mM

sample_conditions_1: ionic strength: 0.15 M; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
1D 1H	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_2	isotropic	sample_conditions_1
3D CCH-TOCSY	sample_2	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_2	isotropic	sample_conditions_1
3D HN(CA)CO	sample_2	isotropic	sample_conditions_1
3D HBHANH	sample_2	isotropic	sample_conditions_1
3D HNCACB	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_2	isotropic	sample_conditions_1
3D HNCO	sample_2	isotropic	sample_conditions_1

Software:

TOPSPIN v3 - collection, processing

CcpNMR v2.1 - chemical shift assignment

NMR spectrometers:

Bruker Avance 500 MHz
Bruker Avance 600 MHz
Bruker AVANCE III 800 MHz