BMRB Entry 11512

Name: Backbone 13C Chemical Shift Assignments for Ubiquitin in Lyophilized Powder
Published: 2019-08-30

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11512

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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: Backbone 13C Chemical Shift Assignments for Ubiquitin in Lyophilized Powder PubMed: 23271376

Deposition date: 2012-10-03 Original release date: 2019-08-30

Authors: Fujiwara, Toshimichi; Ikeda, Keisuke; Egawa, Ayako

Citation: Ikeda, Keisuke; Egawa, Ayako; Fujiwara, Toshimichi. "Secondary structural analysis of proteins based on (13)C chemical shift assignments in unresolved solid-state NMR spectra enhanced by fragmented structure database" J. Biomol. NMR 55, 189-200 (2013).

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

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source: Production method: obtained from a vendor

Entity Sequences (FASTA):
ubiquitin: MQIFVKTLTGKTITLEVEPS DTIENVKAKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKESTLHLVLRLRGG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	222

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	ubiquitin	1

Entities:

Entity 1, ubiquitin 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

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: ubiquitin, [U-100% 13C; U-100% 15N], 7 mg

sample_conditions_1: pressure: 1 atm; temperature: 213 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 13C-13C DARR	sample_1	solid	sample_conditions_1
2D 13C-13C DQSQ	sample_1	solid	sample_conditions_1
2D (CA)i-(COCA)i-1	sample_1	solid	sample_conditions_1

Software:

FELIX, Accelrys Software Inc. - processing

NMR spectrometers:

Varian infinity-plus 700 MHz
Varian infinity-plus 600 MHz