BMRB Entry 26676

Title:
1H, 13C, and 15N Chemical Shift Assignments for the redox-stable inhibitor of SPSB2-iNOS interaction - CP1
Deposition date:
2015-10-03
Original release date:
2016-09-09
Authors:
Yap, Beow Keat; Norton, Raymond
Citation:

Citation: Yap, Beow Keat; Harjani, J.; Leung, E.; Nicholson, S.; Scanlon, M.; Chalmers, D.; Thompson, P.; Baell, J.; Norton, Raymond. "Redox-stable cyclic peptide inhibitors of the SPSB2-iNOS interaction"  FEBS Lett. 590, 696-704 (2016).
PubMed: 26921848

Assembly members:

Assembly members:
XVDINNN, polymer, 7 residues, Formula weight is not available

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):
XVDINNN: XVDINNN

Data sets:
Data typeCount
13C chemical shifts23
15N chemical shifts12
1H chemical shifts56

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1XVDINNN1

Entities:

Entity 1, XVDINNN 7 residues - Formula weight is not available

1   CST-2VALASPILEASNASNASN

Samples:

sample_1: CP1 700 uM

CP1_conditions: pH: 4.8; temperature: 283 K

CP1_in_D2O: pH*: 4.8 pH*; temperature: 283 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicCP1_conditions
2D 1H-1H ROESYsample_1isotropicCP1_conditions
2D DQF-COSYsample_1isotropicCP1_conditions
2D 1H-15N HSQCsample_1isotropicCP1_conditions
2D 1H-13C HSQCsample_1isotropicCP1_in_D2O

Software:

CcpNmr_Analysis v2.1.5, CCPN - chemical shift assignment

TOPSPIN v3.2, Bruker Biospin - collection

NMR spectrometers:

  • Bruker Avance 600 MHz

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