BMRB Entry 36066

Name: Disulfide-constrained Wound Healing Peptide Derived from Pereskia bleo
Published: 2018-02-12

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PDB ID: 5xbd
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36066
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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:

Disulfide-constrained Wound Healing Peptide Derived from Pereskia bleo

Deposition date:

2017-03-17

Original release date:

2018-02-12

Authors:

Xiao, T.; Tam, J.

Citation:

Citation: Loo, S.; Kam, A.; Xiao, T.; Tam, J.. "Bleogens: Cactus-Derived Anti-Candida Cysteine-Rich Peptides with Three Different Precursor Arrangements" Front. Plant Sci. 8, 2162-2162 (2017).
PubMed: 29312404

Assembly members:

Assembly members:
pB1, polymer, 36 residues, 3855.474 Da.

Natural source:

Natural source: Common Name: Pereskia bleo Taxonomy ID: 307721 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Leuenbergeria bleo

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
pB1: QCKPNGAKCTEISIPPCCSN FCLRYAGQKSGTCANR

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	214

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 36 residues - 3855.474 Da.

1

GLN

CYS

LYS

PRO

ASN

GLY

ALA

LYS

CYS

THR

2

GLU

ILE

SER

ILE

PRO

CYS

SER

ASN

3

PHE

CYS

LEU

ARG

TYR

ALA

GLY

GLN

LYS

SER

4

GLY

THR

CYS

ALA

ASN

ARG

Samples:

sample_1: pB1 1.5 mM; TFA 0.03%; H2O 95%; D2O, [U-100% 2H], 5%

sample_conditions_1: ionic strength: 0 mM; pH: 3.5; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation

CNS v1.3 - refinement

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY, Goddard - chemical shift assignment

TOPSPIN, Bruker Biospin - collection

NMR spectrometers:

Bruker AvanceII 600 MHz