BMRB Entry 7214

Name: Backbone 1H Chemical Shift Assignments for J3
Published: 2007-01-09

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR7214

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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:

Backbone 1H Chemical Shift Assignments for J3

Deposition date:

2006-07-03

Original release date:

2007-01-09

Authors:

Sabo, Jennifer; Keizer, David; Feng, Zhi-Ping; Casey, Joanne; Parisi, Kathy; Coley, Andrew; Foley, Michael; Norton, Raymond

Citation:

Citation: Sabo, Jennifer; Keizer, David; Feng, Zhi-Ping; Casey, Joanne; Parisi, Kathy; Coley, Andrew; Foley, Michael; Norton, Raymond. "Mimotopes of Apical Membrane Antigen 1: Structures of Phage-Derived Peptides Recognized by the Inhibitory Monoclonal Antibody 4G2dc1 and Design of a More Active Analogue" Infect. Immun. 75, 61-73 (2007).
PubMed: 17060469

Assembly members:

Assembly members:
J3, polymer, 21 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Enterobacteria phage M13 Taxonomy ID: 10870 Superkingdom: Viruses Kingdom: not available Genus/species: Inovirus Inovirus Enterobacteria phage

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
J3: FGGVSDEDVPSFHFKPPSSR G

Data sets:

assigned_chemical_shifts
- chem_shift_list_1
coupling_constants
- J_coupling_list_1

Data type	Count
1H chemical shifts	110
coupling constants	11

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	J3	1

Entities:

Entity 1, J3 21 residues - Formula weight is not available

1

PHE

GLY

VAL

SER

ASP

GLU

ASP

VAL

PRO

2

SER

PHE

HIS

PHE

LYS

PRO

SER

ARG

3

GLY

Samples:

sample_1: J3 1 mM; sodium acetate 10 mM

conditions_1: pH: 4.5; temperature: 278 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	not available	conditions_1
2D 1H-1H DQF-COSY	sample_1	not available	conditions_1
2D 1H-1H NOESY	sample_1	not available	conditions_1

Software:

xwinnmr v3.5, Bruker Biospin -

XEASY v1.3.13 -

CYANA v1.0.6 -

X-PLOR NIH v2.9.3 -

NMR spectrometers:

Bruker Biospin AMX 500 MHz
Bruker Biospin DRX 600 MHz