BMRB Entry 51982

Name: Chemical shifts for Amelotin (25-130) at 2 kbar
Published: 2023-10-03

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51982

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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:

Chemical shifts for Amelotin (25-130) at 2 kbar

Deposition date:

2023-05-28

Original release date:

2023-10-03

Authors:

Chiliveri, Sai Chaitanya; Bax, Ad

Citation:

Citation: Chiliveri, Sai Chaitanya; Shen, Yang; Baber, James; Ying, Jinfa; Sagar, Vatsala; Wistow, Graeme; Anfinrud, Philip; Bax, Ad. "Experimental NOE, Chemical Shift, and Proline Isomerization Data Provide Detailed Insights into Amelotin Oligomerization" J. Am. Chem. Soc. 145, 18063-18074 (2023).
PubMed: 37548612

Assembly members:

Assembly members:
entity_1, polymer, 118 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: MNQQQSNQVFPSLSLIPLTQ MLTLGPDLHLLNPAAGMTPG TQTHPLTLGGLNVQQQLHPH VLPIFVTQLGAQGTILSSEE LPQIFTSLIIHSLFPGGILP TSQAGANGSWGSHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	224
15N chemical shifts	106
1H chemical shifts	106

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Amelotin(25-130)	1

Entities:

Entity 1, Amelotin(25-130) 118 residues - Formula weight is not available

1

MET

ASN

GLN

SER

ASN

GLN

VAL

PHE

2

PRO

SER

LEU

SER

LEU

ILE

PRO

LEU

THR

GLN

3

MET

LEU

THR

LEU

GLY

PRO

ASP

LEU

HIS

LEU

4

LEU

ASN

PRO

ALA

GLY

MET

THR

PRO

GLY

5

THR

GLN

THR

HIS

PRO

LEU

THR

LEU

GLY

6

LEU

ASN

VAL

GLN

LEU

HIS

PRO

HIS

7

VAL

LEU

PRO

ILE

PHE

VAL

THR

GLN

LEU

GLY

8

ALA

GLN

GLY

THR

ILE

LEU

SER

GLU

9

LEU

PRO

GLN

ILE

PHE

THR

SER

LEU

ILE

10

HIS

SER

LEU

PHE

PRO

GLY

ILE

LEU

PRO

11

THR

SER

GLN

ALA

GLY

ALA

ASN

GLY

SER

TRP

12

GLY

SER

HIS

Samples:

sample_1: Amelotin(25-130), [U-13C; U-15N; U-2H], 50 uM; sodium acetate 30 mM; NaCl 70 mM

sample_conditions_1: ionic strength: 100 mM; pH: 4.6; pressure: 2000 bar; temperature: 288 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

Software:

TOPSPIN v3 - collection

NMRPipe - processing

SMILE - processing

CcpNMR - chemical shift assignment, data analysis

NMR spectrometers:

Bruker AVANCE III 700 MHz

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