BMRB Entry 50949

Name: Backbone 1H, and 15N Chemical Shift Assignments for M82I SUMO1
Published: 2021-07-15

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50949

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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 1H, and 15N Chemical Shift Assignments for M82I SUMO1

Deposition date:

2021-05-19

Original release date:

2021-07-15

Authors:

Chatterjee, Kiran Sankar; Das, Ranabir

Citation:

Citation: Chatterjee, Kiran Sankar; Das, Ranabir. "An "up" oriented methionine-aromatic structural motif in SUMO is critical for its stability and activity" J. Biol. Chem. 297, 100970-100970 (2021).
PubMed: 34274315

Assembly members:

Assembly members:
entity_1, polymer, 109 residues, 12513 Da.

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: pQE-80L

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MRGSHHHHHHGSMSDQEAKP STEDLGDKKEGEYIKLKVIG QDSSEIHFKVKMTTHLKKLK ESYCQRQGVPMNSLRFLFEG QRIADNHTPKELGIEEEDVI EVYQEQTGG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
15N chemical shifts	85
1H chemical shifts	85

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	SUMO1 M82I	1

Entities:

Entity 1, SUMO1 M82I 109 residues - 12513 Da.

Residues 1-12 represent a His affinity tag. This is the M82I mutant of human SUMO1 protein.

1

MET

ARG

GLY

SER

HIS

2

GLY

SER

MET

SER

ASP

GLN

GLU

ALA

LYS

PRO

3

SER

THR

GLU

ASP

LEU

GLY

ASP

LYS

GLU

4

GLY

GLU

TYR

ILE

LYS

LEU

LYS

VAL

ILE

GLY

5

GLN

ASP

SER

GLU

ILE

HIS

PHE

LYS

VAL

6

LYS

MET

THR

HIS

LEU

LYS

LEU

LYS

7

GLU

SER

TYR

CYS

GLN

ARG

GLN

GLY

VAL

PRO

8

MET

ASN

SER

LEU

ARG

PHE

LEU

PHE

GLU

GLY

9

GLN

ARG

ILE

ALA

ASP

ASN

HIS

THR

PRO

LYS

10

GLU

LEU

GLY

ILE

GLU

ASP

VAL

ILE

11

GLU

VAL

TYR

GLN

GLU

GLN

THR

GLY

Samples:

sample_1: SUMO1_M82I, [U-100% 13C; U-100% 15N], 300 mM

sample_conditions_1: ionic strength: 0.162 M; 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

Software:

TOPSPIN - collection

NMRPipe - processing

NMRFAM-SPARKY - chemical shift assignment

NMR spectrometers:

Bruker AVANCE III 800 MHz

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