BMRB Entry 52217

Name: 1H, 13C, and 15N Chemical Shift Assignments for amyloidogenic SEM1(86-107) peptide
Published: 2023-12-08

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52217

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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 Chemical Shift Assignments for amyloidogenic SEM1(86-107) peptide

Deposition date: 2023-11-27 Original release date: 2023-12-08

Authors: Osetrina, Daria; Zaitseva, Ekaterina; Yulmetov, Aydar; Blokhin, Dmitriy

Citation: Osetrina, Daria; Kusova, Aleksandra; Bikmullin, Aydar; Klochkov, Vladimir; Blokhin, Dmitriy. "The Structure of Fibril-Forming SEM1(86-107) Peptide Increasing the HIV Infectivity" BioNanoScience ., .-..

Assembly members:
entity_1, polymer, 22 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: chemical synthesis

Entity Sequences (FASTA):
entity_1: DLNALHKTTKSQRHLGGSQQ LL

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	101
15N chemical shifts	21
1H chemical shifts	152

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	SEM22	1

Entities:

Entity 1, SEM22 22 residues - Formula weight is not available

1

ASP

LEU

ASN

ALA

LEU

HIS

LYS

THR

LYS

2

SER

GLN

ARG

HIS

LEU

GLY

SER

GLN

3

LEU

Samples:

sample_1: SEM1(86-107) peptide 0.9 mM

sample_conditions_1: pH: 4.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HMBC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC-TOCSY	sample_1	isotropic	sample_conditions_1

Software:

CcpNMR AnalysisAssign v3.2.0 - chemical shift assignment

NMR spectrometers:

Bruker AVANCE III 700 MHz

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