BMRB Entry 26676

Name: 1H, 13C, and 15N Chemical Shift Assignments for the redox-stable inhibitor of SPSB2-iNOS interaction - CP1
Published: 2016-09-09

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR26676

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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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:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	23
15N chemical shifts	12
1H chemical shifts	56

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	XVDINNN	1

Entities:

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

1

CST-2

VAL

ASP

ILE

ASN

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:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	CP1_conditions
2D 1H-1H ROESY	sample_1	isotropic	CP1_conditions
2D DQF-COSY	sample_1	isotropic	CP1_conditions
2D 1H-15N HSQC	sample_1	isotropic	CP1_conditions
2D 1H-13C HSQC	sample_1	isotropic	CP1_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