BMRB Entry 50871

Name: A peptide with high affinity for B-Cell lymphoma2(Bcl-2)
Published: 2021-04-18

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50871

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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:

A peptide with high affinity for B-Cell lymphoma2(Bcl-2)

Deposition date:

2021-04-07

Original release date:

2021-04-18

Authors:

Fan, Shihui; Zha, Jun

Citation:

Citation: Zha, Jun; Li, Jinjing; Fan, Shihui; Duan, Zengping; Zhao, Yibing; Wu, Chuanliu. "An evolution-inspired strategy to design disulfide-rich peptides tolerant to extensive sequence manipulation" Chem. Sci. 12, 11464-11472 (2021).
PubMed: 34567500

Assembly members:

Assembly members:
entity_1, polymer, 26 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):
entity_1: GCMILLDTDIWCPCSHPYAC PENICC

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	73
15N chemical shifts	20
1H chemical shifts	158

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	B-Cell lymphoma2	1

Entities:

Entity 1, B-Cell lymphoma2 26 residues - Formula weight is not available

1

GLY

CYS

MET

ILE

LEU

ASP

THR

ASP

ILE

2

TRP

CYS

PRO

CYS

SER

HIS

PRO

TYR

ALA

CYS

3

PRO

GLU

ASN

ILE

CYS

Samples:

sample_1: 16x_bcl-2 0.5 mM

sample_conditions_1: ionic strength: 0 M; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	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
2D 1H-1H COSY	sample_1	isotropic	sample_conditions_1

Software:

NMRFAM-SPARKY - chemical shift assignment

NMRPipe - processing

NMR spectrometers:

Bruker AVANCE III 850 MHz

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