BMRB Entry 18284

Name: Solution structure of de novo designed antifreeze peptide 1m
Published: 2012-10-22

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PDB ID: 2lq0
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18284
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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:

Solution structure of de novo designed antifreeze peptide 1m

Deposition date:

2012-02-21

Original release date:

2012-10-22

Authors:

Bhunia, Anirban

Citation:

Citation: Bhunia, Anirban. "Solution structure of de novo designed antifreeze peptide" .

Assembly members:

Assembly members:
entity, polymer, 25 residues, 2984.426 Da.

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 Vector: Chemical synthesizd peptide

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: QRSNFHPLAASFIVRCAFEH SRRFT

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	112

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	antifreeze_peptide_1m	1

Entities:

Entity 1, antifreeze_peptide_1m 25 residues - 2984.426 Da.

1

GLN

ARG

SER

ASN

PHE

HIS

PRO

LEU

ALA

2

SER

PHE

ILE

VAL

ARG

CYS

ALA

PHE

GLU

HIS

3

SER

ARG

PHE

THR

Samples:

sample_1: antifreeze_peptide_1m 0.8 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 5.0; temperature: 288 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:

DYANA v1.5, Guntert, Braun and Wuthrich - refinement

NMR spectrometers:

Bruker Avance 800 MHz
Bruker Avance 500 MHz