BMRB Entry 25458

Name: NMR structure of an Odin-Sam1 fragment
Published: 2015-07-13

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PDB ID: 2myq
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25458
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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:

NMR structure of an Odin-Sam1 fragment

Deposition date:

2015-01-30

Original release date:

2015-07-13

Authors:

Mercurio, Flavia; Leone, Marilisa

Citation:

Citation: Mercurio, Flavia; Natale, Concetta; Pirone, Luciano; Scognamiglio, Pasqualina; Marasco, Daniela; Pedone, Emilia; Saviano, Michele; Leone, Marilisa. "Peptide Fragments of Odin-Sam1: Conformational Analysis and Interaction Studies with EphA2-Sam" Chembiochem 16, 1629-1636 (2015).
PubMed: 26120079

Assembly members:

Assembly members:
entity_1, polymer, 45 residues, 4933.5 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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: XSKLLLNGFDDVHFLGSNVM EEQDLRDIGISDPQHRRKLL QAARX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	315

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 45 residues - 4933.5 Da.

The peptide corresponds to a fragment of human Odin (Uniprot code Q92625, residues 715-757) with N-terminal Acetylation and C-terminal amidation

1

ACE

SER

LYS

LEU

ASN

GLY

PHE

ASP

2

ASP

VAL

HIS

PHE

LEU

GLY

SER

ASN

VAL

MET

3

GLU

GLN

ASP

LEU

ARG

ASP

ILE

GLY

ILE

4

SER

ASP

PRO

GLN

HIS

ARG

LYS

LEU

5

GLN

ALA

ARG

NH2

Samples:

sample_1: entity_1 600 uM; H2O 30 % v/v; 2,2,2-trifluoroethanol-d3 (TFE-d3), [U-99% 2H], 70 % v/v

sample_conditions_1: 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
2D DQF-COSY	sample_1	isotropic	sample_conditions_1

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

VNMRJ, Varian - collection, processing

XEASY, Bartels et al. - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

Varian Unity 600 MHz