BMRB Entry 27798

Name: 1H, 13C and 15N backbone chemical shift assignments of a mutated variant of UBE2S C95S/C118M/K100C
Published: 2019-06-27

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27798

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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:

1H, 13C and 15N backbone chemical shift assignments of a mutated variant of UBE2S C95S/C118M/K100C

Deposition date:

2019-02-22

Original release date:

2019-06-27

Authors:

Schweimer, Kristian; Liess, Anna; Lorenz, Sonja

Citation:

Citation: Liess, Anna; Kucerova, Alena; Schweimer, Kristian; Yu, Lu; Roumeliotis, Theodoros; Diebold, Mathias; Dybkov, Olexandr; Sotriffer, Christoph; Urlaub, Henning; Choudhary, Jyoti; Mansfeld, Jorg; Lorenz, Sonja. "Autoinhibition Mechanism of the Ubiquitin-Conjugating Enzyme UBE2S by Autoubiquitination" Structure 27, 1195-1210 (2019).
PubMed: 31230944

Assembly members:

Assembly members:
UBE2S, polymer, 156 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: modified pSKB2 vector

Entity Sequences (FASTA):

Entity Sequences (FASTA):
UBE2S: MNSNVENLPPHIIRLVYKEV TTLTADPPDGIKVFPNEEDL TDLQVTIEGPEGTPYAGGLF RMKLLLGKDFPASPPKGYFL TKIFHPNVGANGEISVNVLC RDWTAELGIRHVLLTIKMLL IHPNPESALNEEAGRLLLEN YEEYAARARLLTEIHG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	423
15N chemical shifts	137
1H chemical shifts	137

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	UBE2S UBC	1

Entities:

Entity 1, UBE2S UBC 156 residues - Formula weight is not available

1

MET

ASN

SER

ASN

VAL

GLU

ASN

LEU

PRO

2

HIS

ILE

ARG

LEU

VAL

TYR

LYS

GLU

VAL

3

THR

LEU

THR

ALA

ASP

PRO

ASP

GLY

4

ILE

LYS

VAL

PHE

PRO

ASN

GLU

ASP

LEU

5

THR

ASP

LEU

GLN

VAL

THR

ILE

GLU

GLY

PRO

6

GLU

GLY

THR

PRO

TYR

ALA

GLY

LEU

PHE

7

ARG

MET

LYS

LEU

GLY

LYS

ASP

PHE

8

PRO

ALA

SER

PRO

LYS

GLY

TYR

PHE

LEU

9

THR

LYS

ILE

PHE

HIS

PRO

ASN

VAL

GLY

ALA

10

ASN

GLY

GLU

ILE

SER

VAL

ASN

VAL

LEU

CYS

11

ARG

ASP

TRP

THR

ALA

GLU

LEU

GLY

ILE

ARG

12

HIS

VAL

LEU

THR

ILE

LYS

MET

LEU

13

ILE

HIS

PRO

ASN

PRO

GLU

SER

ALA

LEU

ASN

14

GLU

ALA

GLY

ARG

LEU

GLU

ASN

15

TYR

GLU

TYR

ALA

ARG

ALA

ARG

LEU

16

LEU

THR

GLU

ILE

HIS

GLY

Samples:

sample_1: UBE2S, [U-100% 13C; U-100% 15N], 0.6 mM; D2O 5%; sodium phosphate 75 mM; DTT 5 mM; EDTA 1 mM; TCEP 2 mM

sample_conditions_1: pH: 7.2; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
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 HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HN(COCA)CB	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1

Software:

NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking

NMR spectrometers:

Bruker Avance 700 MHz