BMRB Entry 51231

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51231
MolProbity Validation Chart

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Title:
1H, 13C, and 15N Chemical Shift Assignments for amyloidogenic PAP(85-120) peptide
Deposition date:
2021-12-16
Original release date:
2021-12-20
Authors:
Blokhin, Dmitriy; Kusova, Aleksandra; Abramova, Maria; Skvortsova, Polina; Yulmetov, Aydar; Klochkov, Vladimir
Citation:

Citation: Blokhin, Dmitriy. "1H, 13C and 15N Assigned Chemical Shifts for amyloidogenic PAP(85-120) peptide"  J. Mol. Struct. ., .-..

Assembly members:

Assembly members:
entity_1, polymer, 36 residues, 4469.1699 Da.

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: IRKRYRKFLNESYKHEQVYI RSTDVDRTLMSAMTNL

Data sets:
Data typeCount
13C chemical shifts134
15N chemical shifts33
1H chemical shifts220

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1PAP(85-120)1

Entities:

Entity 1, PAP(85-120) 36 residues - 4469.1699 Da.

1   ILEARGLYSARGTYRARGLYSPHELEUASN
2   GLUSERTYRLYSHISGLUGLNVALTYRILE
3   ARGSERTHRASPVALASPARGTHRLEUMET
4   SERALAMETTHRASNLEU

Samples:

sample_1: PAP(85-120) 0.8 mM

sample_conditions_1: pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HMBCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC-TOCSYsample_1isotropicsample_conditions_1

Software:

CcpNmr Analysis v2.4 - chemical shift assignment

DANGLE v1.1 - data analysis

PyRPF v0.4 - data analysis

TOPSPIN v3.6 - processing

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