BMRB Entry 52356

Title:
1H, 13C, and 15N Chemical Shift Assignments for amyloidogenic SEM2(49-107) peptide
Deposition date:
2024-03-18
Original release date:
2024-03-20
Authors:
Troshkina, Anastasia; Blokhin, Dmitriy; Vasilyevich, Vladimir
Citation:

Citation: Troshkina, Anastasia; Blokhin, Dmitriy; Vasilyevich, Vladimir. "The investigation of SEM2(49-107) by NMR spectroscopy"  Bionanoscience ., .-..

Assembly members:

Assembly members:
entity_1, polymer, 59 residues, 6855.5693 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: E. coli - cell free   Vector: pET-GB1

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts142
15N chemical shifts48
1H chemical shifts137

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1SEM2(49-107)1

Entities:

Entity 1, SEM2(49-107) 59 residues - 6855.5693 Da.

1   PHEGLYGLNLYSASPGLNGLNHISTHRLYS
2   SERLYSGLYSERPHESERILEGLNHISTHR
3   TYRHISVALASPILEASNASPHISASPTRP
4   THRARGLYSSERGLNGLNTYRASPLEUASN
5   ALALEUHISLYSALATHRLYSSERLYSGLN
6   HISLEUGLYGLYSERGLNGLNLEULEU

Samples:

sample_1: SEM2(49-107), [U-100% 15N;U-100% 13C], 0.49 mM

sample_conditions_1: pH: 7.4; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQC/HMQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
HN(Ca)CO (H[N[ca[CO]]])sample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
CC(CO)NH (C_coNH.relayed)sample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
HNHAHB (H{ca|cca}NH)sample_1isotropicsample_conditions_1
HNHA (H{[N]+[HA]})sample_1isotropicsample_conditions_1
2D 1H-15N HSQC/HMQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQC/HMQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQC/HMQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQC/HMQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQC/HMQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQC/HMQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQC/HMQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQC/HMQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQC/HMQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQC/HMQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQC/HMQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQC/HMQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQC/HMQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQC/HMQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQC/HMQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQC/HMQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQC/HMQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQC/HMQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQC/HMQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQC/HMQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQC/HMQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQC/HMQCsample_1isotropicsample_conditions_1
HETNOE1sample_1isotropicsample_conditions_1
HETNOE2sample_1isotropicsample_conditions_1

Software:

CcpNmr Analysis v2.5 - chemical shift assignment

DANGLE v1.1 - 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 peaks
SPARKY: Backbone or all simulated peaks