BMRB Entry 27477

Name: The complete 1H, 13C, 15N chemical shift assignment of the Itch HECT C-lobe
Published: 2018-10-03

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27477

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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:

The complete 1H, 13C, 15N chemical shift assignment of the Itch HECT C-lobe

Deposition date:

2018-05-10

Original release date:

2018-10-03

Authors:

Steven, Beasley; Roela, Bardhi; Donald, Spratt

Citation:

Citation: Beasley, Steven; Bardhi, Roela; Spratt, Donald. "1H, 13C, and 15N resonance assignments of the C-terminal lobe of the human HECT E3 ubiquitin ligase ITCH" Biomol. NMR Assignments 13, 15-20 (2019).
PubMed: 30229450

Assembly members:

Assembly members:
ITCH_C-lobe, polymer, 122 residues, 14402.39 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: pUC derivative

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ITCH_C-lobe: GSGMQEIDLNDWQRHAIYRH YARTSKQIMWFWQFVKEIDN EKRMRLLQFVTGTSRLPVGG FADLMGSNGPQKFSIEKVGK ENWLPRSHTCFNRLDLPPYK SYEQLKEKLLFAIEETEGFG QE

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
spectral_peak_list

Data type	Count
13C chemical shifts	571
15N chemical shifts	130
1H chemical shifts	869

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	ITCH C-lobe	1

Entities:

Entity 1, ITCH C-lobe 122 residues - 14402.39 Da.

The first 2 residues are a cloning artifact after affinity tag cleavage; G784-E903 is the remainder based on Uniprot Q96J02.

1

GLY

SER

GLY

MET

GLN

GLU

ILE

ASP

LEU

ASN

2

ASP

TRP

GLN

ARG

HIS

ALA

ILE

TYR

ARG

HIS

3

TYR

ALA

ARG

THR

SER

LYS

GLN

ILE

MET

TRP

4

PHE

TRP

GLN

PHE

VAL

LYS

GLU

ILE

ASP

ASN

5

GLU

LYS

ARG

MET

ARG

LEU

GLN

PHE

VAL

6

THR

GLY

THR

SER

ARG

LEU

PRO

VAL

GLY

7

PHE

ALA

ASP

LEU

MET

GLY

SER

ASN

GLY

PRO

8

GLN

LYS

PHE

SER

ILE

GLU

LYS

VAL

GLY

LYS

9

GLU

ASN

TRP

LEU

PRO

ARG

SER

HIS

THR

CYS

10

PHE

ASN

ARG

LEU

ASP

LEU

PRO

TYR

LYS

11

SER

TYR

GLU

GLN

LEU

LYS

GLU

LYS

LEU

12

PHE

ALA

ILE

GLU

THR

GLU

GLY

PHE

GLY

13

GLN

GLU

Samples:

sample_1: ITCH C-lobe, [U-100% 13C; U-100% 15N], 1.75 mM; MES 20 mM; sodium chloride 120 mM; EDTA 1 mM; TCEP 2 mM

sample_2: ITCH C-lobe, [U-100% 13C; U-100% 15N], 1.75 mM; MES 20 mM; sodium chloride 120 mM; EDTA 1 mM; TCEP 2 mM

sample_conditions_1: ionic strength: 143 mM; pH: 6.0; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_2	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_2	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1

Software:

NMRView v9.1.0-b63, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax, Johnson, One Moon Scientific - chemical shift assignment, data analysis, peak picking, processing, refinement

NMR spectrometers:

Varian INOVA 600 MHz

UNP	Q96J02
AlphaFold	Q9H4U5