BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 30415

Title: Lactam cyclised mimetic of a fragment of p21   PubMed: 29917264

Deposition date: 2018-02-25 Original release date: 2018-06-25

Authors: Wegener, K.

Citation: Wegener, K.; McGrath, A.; Dixon, N.; Oakley, A.; Scanlon, D.; Abell, A.; Bruning, J.. "Rational design of a 310-helical PIP-box mimetic targeting PCNA - the human sliding clamp"  Chemistry 24, 11325-11331 (2018).

Assembly members:
entity_1, polymer, 14 residues, 1830.122 Da.

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: GRKRRQKSMTEFYH

Data sets:
Data typeCount
1H chemical shifts89

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 14 residues - 1830.122 Da.

1   GLYARGLYSARGARGGLNLYSSERMETTHR
2   GLUPHETYRHIS

Samples:

sample_1: ACR1 1.4 ± 0.05 mM; DSS 0.1 ± 0.005 mM

sample_conditions_1: ionic strength: 0 M; pH: 5.90; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D NOESYsample_1isotropicsample_conditions_1
2D TOCSYsample_1isotropicsample_conditions_1
2D COSYsample_1isotropicsample_conditions_1
1D 1Hsample_1isotropicsample_conditions_1

Software:

ARIA, Linge, O'Donoghue and Nilges - refinement, structure calculation

Analysis, CCPN - chemical shift assignment, peak picking

NMR spectrometers:

  • Varian INOVA 600 MHz