BMRB Entry 51725

Name: Ubiquitin-T12C (apo)
Published: 2023-12-15

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51725

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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-T12C (apo)

Deposition date:

2022-12-09

Original release date:

2023-12-15

Authors:

Hartmann, Philipp; Bohdan, Kostiantyn; Hommrich, Moritz; Julia, Fabio; Vogelsang, Lara; Eirich, Jurgen; Zang, Rene; Fares, Christophe; Julia, Lingnau; Mukhopadhyay, Dwaipayan; Mengeler, Johanna; Vetere, Alessandro; Hinrichs, Heike; Becker, Stefan; Morgner, Nina; Schrader, Wolfgang; Finkemeier, Iris; Dietz, Karl-Josef; Griesinger, Christian; Ritter, Tobias

Citation:

Citation: Hartmann, Philipp; Bohdan, Kostiantyn; Hommrich, Moritz; Julia, Fabio; Vogelsang, Lara; Eirich, Jurgen; Zangl, Rene; Fares, Christophe; Jacobs, Julia Beatrice; Mukhopadhyay, Dwaipayan; Mengeler, Johanna Marie; Vetere, Alessandro; Sterling, Marie Sophie; Hinrichs, Heike; Becker, Stefan; Morgner, Nina; Schrader, Wolfgang; Finkemeier, Iris; Dietz, Karl-Josef; Griesinger, Christian; Ritter, Tobias. "Chemoselective umpolung of thiols to episulfoniums for cysteine bioconjugation" Nat. Chem. 16, 380-388 (2024).
PubMed: 38123842

Assembly members:

Assembly members:
entity_2, polymer, 76 residues, Formula weight is not available

Natural source:

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: p'AED

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_2: MQIFVKTLTGKCITLEVEPS DTIENVKAKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKESTLHLVLRLRGG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_2

Data type	Count
13C chemical shifts	344
15N chemical shifts	78
1H chemical shifts	536

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Ubiquitin-T12C	1

Entities:

Entity 1, Ubiquitin-T12C 76 residues - Formula weight is not available

1

MET

GLN

ILE

PHE

VAL

LYS

THR

LEU

THR

GLY

2

LYS

CYS

ILE

THR

LEU

GLU

VAL

GLU

PRO

SER

3

ASP

THR

ILE

GLU

ASN

VAL

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: Human Ubiquitin T12C, [U-100% 13C; U-100% 15N], 0.7 mM; DTT 0.5 mM; sodium phosphate 50 mM; DSS 0.1 mM

sample_conditions_1: ionic strength: 0.05 M; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	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 HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1

Software:

NMRFAM-SPARKY v1.470 - chemical shift assignment

TOPSPIN v3.6 - data collection, 2D-processing

NMRPipe v11 - 3D-Processing

NMR spectrometers:

Bruker AVANCE III 600 MHz

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