BMRB Entry 34701

Name: GB1 in mammalian cells, 10 uM
Published: 2022-12-16

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PDB ID: 7qts
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34701
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: GB1 in mammalian cells, 10 uM PubMed: 36460747

Deposition date: 2022-01-15 Original release date: 2022-12-16

Authors: Gerez, J.; Prymaczok, N.; Kadavath, H.; Gosh, D.; Butikofer, M.; Guntert, P.; Riek, R.

Citation: Gerez, Juan; Prymaczok, Natalia; Kadavath, Harindranath; Ghosh, Dhiman; Butikofer, Matthias; Fleischmann, Yanick; Guntert, Peter; Riek, Roland. "Protein structure determination in human cells by in-cell NMR and a reporter system to optimize protein delivery or transexpression" Commun. Biol. 5, 1322-1322 (2022).

Assembly members:
entity_1, polymer, 57 residues, 6360.004 Da.

Natural source: Common Name: Streptococcus sp. Taxonomy ID: 1306 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptococcus sp.

Experimental source: Production method: recombinant technology Host organism: Escherichia coli

Entity Sequences (FASTA):
entity_1: MMQYKLILNGKTLKGETTTE AVDAATAEKVFKQYANDNGV DGEWTYDDATKTFTVTE

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	372

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 57 residues - 6360.004 Da.

1

MET

GLN

TYR

LYS

LEU

ILE

LEU

ASN

GLY

2

LYS

THR

LEU

LYS

GLY

GLU

THR

GLU

3

ALA

VAL

ASP

ALA

THR

ALA

GLU

LYS

VAL

4

PHE

LYS

GLN

TYR

ALA

ASN

ASP

ASN

GLY

VAL

5

ASP

GLY

GLU

TRP

THR

TYR

ASP

ALA

THR

6

LYS

THR

PHE

THR

VAL

THR

GLU

Samples:

sample_1: GB1, [U-13C; U-15N], 10 uM

sample_conditions_1: ionic strength: 0 Not defined; pH: 7.4; pressure: 1 atm; temperature: 283 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D 15N,13C-combined 1H,1H-NOESY	sample_1	isotropic	sample_conditions_1

Software:

CYANA v3.98.13, P. Guntert - structure calculation

OPALp v1.4, R. Koradi - refinement

XEASY, Bartels et al. - chemical shift assignment, peak picking

NMR spectrometers:

Bruker AVANCE III HD 700 MHz