BMRB Entry 50686

Name: Backbone chemical shift assignment, R1 and R2 relaxation rates of R272E/K273E mutant of deubiquitinase A
Published: 2021-02-13

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50686

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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 chemical shift assignment, R1 and R2 relaxation rates of R272E/K273E mutant of deubiquitinase A PubMed: 33417762

Deposition date: 2020-12-24 Original release date: 2021-02-13

Authors: Kabra, Ashish; Li, Ying

Citation: Kabra, Ashish; Li, Ying. "Conformational Dynamics of Deubiquitinase A and Functional Implications" Biochemistry 69, 201-209 (2021).

Assembly members:
entity_1, polymer, 168 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: recombinant technology Host organism: Escherichia coli Vector: pET28-MHL

Entity Sequences (FASTA):
entity_1: GAGYNSEDEYEAAAARIEAM DPATVEQQEHWFEKALRDKK GFIIKQMKEDGACLFRAVAD QVYGDQDMHEVVRKHCMDYL MKNADYFSNYVTEDFTTYIN EERKNNCHGNHIEMQAMAEM YNRPVEVYQYSTGTSAVEPI NTFHGIHQNEDEPIRVSYHR NIHYNSVVNPNKA

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
heteronucl_T1_relaxation
- heteronucl_T1_relaxation_1
heteronucl_T2_relaxation
- heteronucl_T2_relaxation_1

Data type	Count
13C chemical shifts	455
15N chemical shifts	144
1H chemical shifts	144
T1 relaxation values	141
T2 relaxation values	141

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	DUBA R272E/K273E mutant	1

Entities:

Entity 1, DUBA R272E/K273E mutant 168 residues - Formula weight is not available

1

GLY

ALA

GLY

TYR

ASN

SER

GLU

ASP

GLU

TYR

2

GLU

ALA

ARG

ILE

GLU

ALA

MET

3

ASP

PRO

ALA

THR

VAL

GLU

GLN

GLU

HIS

4

TRP

PHE

GLU

LYS

ALA

LEU

ARG

ASP

LYS

5

GLY

PHE

ILE

LYS

GLN

MET

LYS

GLU

ASP

6

GLY

ALA

CYS

LEU

PHE

ARG

ALA

VAL

ALA

ASP

7

GLN

VAL

TYR

GLY

ASP

GLN

ASP

MET

HIS

GLU

8

VAL

ARG

LYS

HIS

CYS

MET

ASP

TYR

LEU

9

MET

LYS

ASN

ALA

ASP

TYR

PHE

SER

ASN

TYR

10

VAL

THR

GLU

ASP

PHE

THR

TYR

ILE

ASN

11

GLU

ARG

LYS

ASN

CYS

HIS

GLY

ASN

12

HIS

ILE

GLU

MET

GLN

ALA

MET

ALA

GLU

MET

13

TYR

ASN

ARG

PRO

VAL

GLU

VAL

TYR

GLN

TYR

14

SER

THR

GLY

THR

SER

ALA

VAL

GLU

PRO

ILE

15

ASN

THR

PHE

HIS

GLY

ILE

HIS

GLN

ASN

GLU

16

ASP

GLU

PRO

ILE

ARG

VAL

SER

TYR

HIS

ARG

17

ASN

ILE

HIS

TYR

ASN

SER

VAL

ASN

PRO

18

ASN

LYS

ALA

Samples:

sample_1: Deubiquitinase A, [U-13C; U-15N; U-2H], 1.1 mM; sodium phosphate 50 mM; NaCl 100 mM

sample_2: Deubiquitinase A, [U-15N; U-2H], 0.6 mM; NaCl 100 mM; sodium phosphate 50 mM

sample_conditions_1: ionic strength: 0.15 M; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
T2/R2 relaxation	sample_2	isotropic	sample_conditions_1
T1/R1 relaxation	sample_2	isotropic	sample_conditions_1

Software:

SPARKY - data analysis

NMRPipe - processing

NMR spectrometers:

Varian VNMRS 700 MHz

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