BMRB Entry 53268

Name: Ubiquitin V17A/V26A retracted Intermediate
Published: 2025-07-31

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PDB ID: 9pl1
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53268
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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:

Ubiquitin V17A/V26A retracted Intermediate

Deposition date:

2025-07-10

Original release date:

2025-07-31

Authors:

Masoumzadeh, Elahe; Courtney, Joseph; Bax, Adriaan

Citation:

Citation: Masoumzadeh, Elahe; Courtney, Joseph; Charlier, Cyril; Yang, Jinfa; Anfinrud, Philip; Bax, Adriaan. "Structure of a transient protein-folding intermediate by pressure-jump NMR spectroscopy" Proc. Natl. Acad. Sci. U.S.A. 122, e2519493122-e2519493122 (2025).
PubMed: 41060762

Assembly members:

Assembly members:
entity_1, polymer, 76 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: pET22

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MQIFVKTLTGKTITLEAEPS DTIENAKAKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKESTLHLVLRLRGG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	137
15N chemical shifts	70
1H chemical shifts	70

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Ubq 2VA	1

Entities:

Entity 1, Ubq 2VA 76 residues - Formula weight is not available

1

MET

GLN

ILE

PHE

VAL

LYS

THR

LEU

THR

GLY

2

LYS

THR

ILE

THR

LEU

GLU

ALA

GLU

PRO

SER

3

ASP

THR

ILE

GLU

ASN

ALA

LYS

ALA

LYS

ILE

4

GLN

ASP

LYS

GLU

GLY

ILE

PRO

ASP

GLN

5

GLN

ARG

LEU

ILE

PHE

ALA

GLY

LYS

GLN

LEU

6

GLU

ASP

GLY

ARG

THR

LEU

SER

ASP

TYR

ASN

7

ILE

GLN

LYS

GLU

SER

THR

LEU

HIS

LEU

VAL

8

LEU

ARG

LEU

ARG

GLY

Samples:

sample_1: Ubq V17A/V26A, [U-100% 13C; U-100% 15N; U-80% 2H], 200 uM; potassium phosphate buffer 25 mM

sample_conditions_1: ionic strength: 25 mM; pH: 6.4; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe - data analysis, processing

SMILE - data analysis

ccpn analysis - chemical shift assignment

NMR spectrometers:

Bruker AVANCE NEO 900 MHz
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