BMRB Entry 35006

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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/BMR35006
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
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Title:
Synthetic chimeric inhibitor peptide of the AuroraA kinase/N-Myc complex - PKImod3
Deposition date:
2025-06-27
Original release date:
2026-06-30
Authors:
Rossi, S.; Guilliere, F.; Sanglar, C.; Miele, A.
Citation:

Citation: Rossi, S.; Guilliere, F.; Sanglar, C.; Hologne, M.; Miele, A.; Paiardini, A.; Tramonti, A.; Boi, D.. "Synthetic chimeric inhibitor peptides of the AuroraA kinase/N-Myc complex "  .

Assembly members:

Assembly members:
entity_1, polymer, 19 residues, 2110.378 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: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: AYADSTASGRWSRRKALLP

Data sets:
Data typeCount
13C chemical shifts63
15N chemical shifts22
1H chemical shifts129

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 19 residues - 2110.378 Da.

1   ALATYRALAASPSERTHRALASERGLYARG
2   TRPSERARGARGLYSALALEULEUPRO

Samples:

sample_1: PKImod3 1 mM

sample_conditions_1: ionic strength: 0 mM; pH: 6.5; pressure: 1 atm; temperature: 293.15 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H ROESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQC-TOCSYsample_1isotropicsample_conditions_1

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

NMRFAM-SPARKY, Lee W, Tonelli M, Markley JL - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker Ascend 600 600 MHz
  • Varian As 600 600 MHz

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