BMRB Entry 50330

Name: Ubkeks
Published: 2021-05-14

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PDB ID: 6xqc
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50330
MolProbity Validation Chart

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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:

Ubkeks

Deposition date:

2020-06-17

Original release date:

2021-05-14

Authors:

Delattre, Patrick; Letourneau, Danny; Lavigne, Pierre

Citation:

Citation: Delattre, Patrick; Letourneau, Danny; Lavigne, Pierre. "Structural and dynamic characterization of UbKEKS, a newly indentified ubiquitin encoded in a pseudogene" .

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: pET28A

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MKIFVKTLTGKTITLEVEPS DTIENVKAKIQDEEGIPPDQ QRLIFAGKKLEDGRTLSDYS IQKESTLHLVLRLRGG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	317
15N chemical shifts	75
1H chemical shifts	529

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Ubkeks	1

Entities:

Entity 1, Ubkeks 76 residues - Formula weight is not available

1

MET

LYS

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

GLU

GLY

ILE

PRO

ASP

GLN

5

GLN

ARG

LEU

ILE

PHE

ALA

GLY

LYS

LEU

6

GLU

ASP

GLY

ARG

THR

LEU

SER

ASP

TYR

SER

7

ILE

GLN

LYS

GLU

SER

THR

LEU

HIS

LEU

VAL

8

LEU

ARG

LEU

ARG

GLY

Samples:

sample_1: UbKEKS, [U-100% 13C; U-100% 15N], 450 uM; D2O 10%; H2O 90%; sodium phosphate 50 mM; sodium chloride 50 mM; sodium azide 0.02%

sample_3: UbKEKS, [U-100% 13C; U-100% 15N], 450 uM; D2O 100%; sodium phosphate 50 mM; sodium chloride 50 mM; sodium azide 0.02%

sample_conditions_1: ionic strength: 100 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K

sample_conditions_2: ionic strength: 100 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_2
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_2
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_2

Software:

CcpNmr Analysis v2.5 - chemical shift assignment, peak picking

TOPSPIN v3.5 - collection, processing

ARIA v2.3 - refinement, structure solution

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