BMRB Entry 5490

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5490

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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:

Sequence-specific 1H, 13C, 15N Resonance Assigments of the Major Cherry Allergen Pru av 1 Mutant E45W

Deposition date:

2002-08-05

Original release date:

2003-10-06

Authors:

Neudecker, Philipp; Lehmann, Katrin; Nerkamp, Joerg; Schweimer, Kristian; Sticht, Heirich; Boehm, Markus; Scheurer, Stephan; Vieths, Stefan; Roesch, Paul

Citation:

Citation: Neudecker, Philipp; Lehmann, Katrin; Nerkamp, Joerg; Haase, Tanja; Wangorsch, Andrea; Foetisch, Kay; Hoffmann, Silke; Roesch, Paul; Vieths, Stefan; Scheurer, Stephan. "Mutational epitope analysis of Pru av 1 and Api g 1, the major allergens of cherry (Prunus avium) and celery (Apium graveolens): correlating IgE reactivity with three-dimensional structure" Biochem. J. 376, 97-107 (2003).
PubMed: 12943529

Assembly members:

Assembly members:
Pru av 1, polymer, 159 residues, 17586 Da.

Natural source:

Natural source: Common Name: sweet cherry Taxonomy ID: 42229 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Prunus avium

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET11a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Pru av 1: GVFTYESEFTSEIPPPRLFK AFVLDADNLVPKIAPQAIKH SEILWGDGGPGTIKKITFGE GSQYGYVKHKIDSIDKENYS YSYTLIEGDALGDTLEKISY ETKLVASPSGGSIIKSTSHY HTKGNVEIKEEHVKAGKEKA SNLFKLIETYLKGHPDAYN

Data sets:

assigned_chemical_shifts
- shift_set_1
coupling_constants
- J_values_set_1

Data type	Count
1H chemical shifts	1017
13C chemical shifts	558
15N chemical shifts	156
coupling constants	96

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Pru av 1 E45W	1

Entities:

Entity 1, Pru av 1 E45W 159 residues - 17586 Da.

1

GLY

VAL

PHE

THR

TYR

GLU

SER

GLU

PHE

THR

2

SER

GLU

ILE

PRO

ARG

LEU

PHE

LYS

3

ALA

PHE

VAL

LEU

ASP

ALA

ASP

ASN

LEU

VAL

4

PRO

LYS

ILE

ALA

PRO

GLN

ALA

ILE

LYS

HIS

5

SER

GLU

ILE

LEU

TRP

GLY

ASP

GLY

PRO

6

GLY

THR

ILE

LYS

ILE

THR

PHE

GLY

GLU

7

GLY

SER

GLN

TYR

GLY

TYR

VAL

LYS

HIS

LYS

8

ILE

ASP

SER

ILE

ASP

LYS

GLU

ASN

TYR

SER

9

TYR

SER

TYR

THR

LEU

ILE

GLU

GLY

ASP

ALA

10

LEU

GLY

ASP

THR

LEU

GLU

LYS

ILE

SER

TYR

11

GLU

THR

LYS

LEU

VAL

ALA

SER

PRO

SER

GLY

12

GLY

SER

ILE

LYS

SER

THR

SER

HIS

TYR

13

HIS

THR

LYS

GLY

ASN

VAL

GLU

ILE

LYS

GLU

14

GLU

HIS

VAL

LYS

ALA

GLY

LYS

GLU

LYS

ALA

15

SER

ASN

LEU

PHE

LYS

LEU

ILE

GLU

THR

TYR

16

LEU

LYS

GLY

HIS

PRO

ASP

ALA

TYR

ASN

Samples:

sample_1: Pru av 1, [U-99% 15N], 0.7 mM

cond_1: pH: 7.0; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D NOESY	sample_1	not available	cond_1
1H,15N HSQC	sample_1	not available	cond_1
HNHA	sample_1	not available	cond_1
3D 1H,15N-TOCSY-HSQC	sample_1	not available	cond_1
3D 1H,15N-NOESY-HSQC	sample_1	not available	cond_1
3D 1H,15N/1H,15N-HMQC-NOESY-HSQC	sample_1	not available	cond_1

Software:

NDEE - spectral analysis

NMRView v5.0.4 - spectral analysis

NMR spectrometers:

Bruker DRX 600 MHz
Bruker DMX 750 MHz

BMRB	4671
PDB	1E09 1H2O
EMBL	CAM35495
GB	AAC02632 ABB78006 ABW99628 ACE80940 EMJ24835
REF	XP_007223636
SP	O24248
AlphaFold	O24248