BMRB Entry 20105

Name: BI-32169
Published: 2010-01-06

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR20105

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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:

BI-32169

Deposition date:

2009-10-20

Original release date:

2010-01-06

Authors:

Knappe, Thomas A.; Linne, Uwe; Xie, Xiulan; Marahiel, Mohamed A.

Citation:

Citation: Knappe, Thomas; Linne, Uwe; Xie, Xiulan; Marahiel, Mohamed. "The glucagon receptor antagonist BI-32169 constitutes a new class of lasso peptides." FEBS Lett. 584, 785-789 (2010).
PubMed: 20043911

Assembly members:

Assembly members:
BI-32169, polymer, 19 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Streptomyces sp. Taxonomy ID: 1931 Superkingdom: Eubacteria Kingdom: not available Genus/species: Streptomyces Streptomyces sp.

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
BI-32169: GLPWGCPSDIPGWNTPWAC

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
conformer_family_coord_set
- ensemble_coordinates

Data type	Count
1H chemical shifts	108

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	BI	1

Entities:

Entity 1, BI 19 residues - Formula weight is not available

1

GLY

LEU

PRO

TRP

GLY

CYS

PRO

SER

ASP

ILE

2

PRO

GLY

TRP

ASN

THR

PRO

TRP

ALA

CYS

Samples:

sample_1: BI-321693 – 5 mM

sample_conditions_1: pH: .; temperature: 313 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D DQF-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1

Software:

CYANA v2.1, Goddard, Guntert, Mumenthaler and Wuthrich, Tripos - chemical shift assignment, geometry optimization, structure solution

NMR spectrometers:

Bruker Avance 600 MHz