BMRB Entry 30270

Name: Peptide 38136 modified from fragment 21-37 of Plasmodium falciparum Cell-Traversal Protein for Ookinetes and Sporozoites (CelTOS)
Published: 2018-07-30

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PDB ID: 5v4c
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30270
MolProbity Validation Chart

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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Peptide 38136 modified from fragment 21-37 of Plasmodium falciparum Cell-Traversal Protein for Ookinetes and Sporozoites (CelTOS)

Deposition date: 2017-03-09 Original release date: 2018-07-30

Authors: Bermudez, A.; Patarroyo, M.

Citation: Bermudez, A.; Patarroyo, M.. "Peptide 38136 modified from fragment 21-37 of Plasmodium falciparum Cell-Traversal Protein for Ookinetes and Sporozoites (CelTOS)" . ., .-..

Assembly members:
entity_1, polymer, 17 residues, 1829.950 Da.

Natural source: Common Name: malaria parasite P. falciparum Taxonomy ID: 5833 Superkingdom: Eukaryota Kingdom: not available Genus/species: Plasmodium falciparum

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: NVHTFRGINGHNSSSSL

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	96

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 17 residues - 1829.950 Da.

1

ASN

VAL

HIS

THR

PHE

ARG

GLY

ILE

ASN

GLY

2

HIS

ASN

SER

LEU

Samples:

sample_1: peptide 38136 16.6 ± 0.1 mg/mL

sample_conditions_1: pH: 3.7; pressure: 1 atm; temperature: 295 K

sample_conditions_2: pH: 3.7; pressure: 1 atm; temperature: 285 K

sample_conditions_3: pH: 3.7; pressure: 1 atm; temperature: 305 K

sample_conditions_4: pH: 3.7; pressure: 1 atm; temperature: 315 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D DQF-COSY; 2D 1H-1H TOCSY; 2D 1H-1H NOESY	sample_1	anisotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	anisotropic	sample_conditions_2
2D 1H-1H TOCSY	sample_1	anisotropic	sample_conditions_3
2D 1H-1H TOCSY	sample_1	anisotropic	sample_conditions_4

Software:

INSIGHTII, ACCELRYS SOFTWARE INC. - refinement

NMR spectrometers:

BRUKER DRX 600 MHz