BMRB Entry 18116

Name: backbone and sidechain order parameters for ubiquitin at 1, 400, 800, 1200, 1600 and 2500 bar
Published: 2019-08-29

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18116

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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 and sidechain order parameters for ubiquitin at 1, 400, 800, 1200, 1600 and 2500 bar

Deposition date:

2011-12-01

Original release date:

2019-08-29

Authors:

Fu, Yinan; Kasinath, Vignesh; Moorman, Veronica; Nucci, Nathaniel; Hilser, Vincent; Wand, A

Citation:

Citation: Fu, Yinan; Kasinath, Vignesh; Moorman, Veronica; Nucci, Nathaniel; Hilser, Vincent; Wand, A Joshua. "Coupled motion in proteins revealed by pressure perturbation" J. Am. Chem. Soc. 134, 8543-8550 (2012).
PubMed: 22452540

Assembly members:

Assembly members:
ubiquitin, 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: pET15b

Entity Sequences (FASTA):

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

Data sets:

order_parameters

Data type	Count
order parameters	546

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-55% 2H], 1.2 mM; ubiquitin, [U-100% 15N], 0.8 mM; sodium chloride 50 mM; sodium acetate 50 mM; sodium azide 3 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 100 mM; pH: 5.0; pressure: 1 bar; temperature: 273 K

sample_conditions_2: ionic strength: 100 mM; pH: 5.0; pressure: 400 bar; temperature: 273 K

sample_conditions_3: ionic strength: 100 mM; pH: 5.0; pressure: 800 bar; temperature: 273 K

sample_conditions_4: ionic strength: 100 mM; pH: 5.0; pressure: 1200 bar; temperature: 273 K

sample_conditions_5: ionic strength: 100 mM; pH: 5.0; pressure: 1600 bar; temperature: 273 K

sample_conditions_6: ionic strength: 100 mM; pH: 5.0; pressure: 2500 bar; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
15N relaxation	sample_1	isotropic	sample_conditions_1
2H relaxation	sample_1	isotropic	sample_conditions_1
15N relaxation	sample_1	isotropic	sample_conditions_2
2H relaxation	sample_1	isotropic	sample_conditions_2
15N relaxation	sample_1	isotropic	sample_conditions_3
2H relaxation	sample_1	isotropic	sample_conditions_3
15N relaxation	sample_1	isotropic	sample_conditions_4
2H relaxation	sample_1	isotropic	sample_conditions_4
15N relaxation	sample_1	isotropic	sample_conditions_5
2H relaxation	sample_1	isotropic	sample_conditions_5
15N relaxation	sample_1	isotropic	sample_conditions_6
2H relaxation	sample_1	isotropic	sample_conditions_6

Software:

FELIX, Accelrys Software Inc. - processing

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 750 MHz