BMRB Entry 15517

Name: 1H, 13C, and 15N Chemical Shift Assignments for ca-free rat alpha-parvalbumin
Published: 2008-06-26

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15517

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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:

1H, 13C, and 15N Chemical Shift Assignments for ca-free rat alpha-parvalbumin

Deposition date:

2007-10-10

Original release date:

2008-06-26

Authors:

Henzl, Michael

Citation:

Citation: Henzl, Michael; Tanner, John. "Solution structure of Ca2+-free rat alpha-parvalbumin" Protein Sci. 17, 431-438 (2008).
PubMed: 18218708

Assembly members:

Assembly members:
parvalbumin, polymer, 109 residues, Formula weight is not available

Natural source:

Natural source: Common Name: rat Taxonomy ID: 10116 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Rattus norvegicus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET11

Entity Sequences (FASTA):

Entity Sequences (FASTA):
parvalbumin: SMTDLLSAEDIKKAIGAFTA ADSFDHKKFFQMVGLKKKSA DDVKKVFHILDKDKSGFIEE DELGSILKGFSSDARDLSAK ETKTLMAAGDKDGDGKIGVE EFSTLVAES

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	438
15N chemical shifts	108
1H chemical shifts	726

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	subunit 1	1

Entities:

Entity 1, subunit 1 109 residues - Formula weight is not available

1

SER

MET

THR

ASP

LEU

SER

ALA

GLU

ASP

2

ILE

LYS

ALA

ILE

GLY

ALA

PHE

THR

ALA

3

ALA

ASP

SER

PHE

ASP

HIS

LYS

PHE

4

GLN

MET

VAL

GLY

LEU

LYS

SER

ALA

5

ASP

VAL

LYS

VAL

PHE

HIS

ILE

LEU

6

ASP

LYS

ASP

LYS

SER

GLY

PHE

ILE

GLU

7

ASP

GLU

LEU

GLY

SER

ILE

LEU

LYS

GLY

PHE

8

SER

ASP

ALA

ARG

ASP

LEU

SER

ALA

LYS

9

GLU

THR

LYS

THR

LEU

MET

ALA

GLY

ASP

10

LYS

ASP

GLY

ASP

GLY

LYS

ILE

GLY

VAL

GLU

11

GLU

PHE

SER

THR

LEU

VAL

ALA

GLU

SER

Samples:

sample_1: alpha-parvalbumin, [U-100% 15N], 3 ± 0.3 mM; MES 10 ± 0.1 mM; sodium chloride 150 ± 1 mM; EDTA 5 ± .05 mM; sodium azide 0.1 ± 0.001 %; H2O 90%; D2O 10%

sample_2: alpha-parvalbumin, [U-98% 13C; U-98% 15N], 3 ± 0.3 mM; MES 10 ± 0.1 mM; sodium chloride 150 ± 1 mM; EDTA 5 ± .05 mM; sodium azide 0.1 ± 0.001 %; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 170 mM; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_2	isotropic	sample_conditions_1
3D C(CO)NH	sample_2	isotropic	sample_conditions_1
3D HNCO	sample_2	isotropic	sample_conditions_1
3D HNCA	sample_2	isotropic	sample_conditions_1
3D HNCACB	sample_2	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_2	isotropic	sample_conditions_1
3D HN(CO)CA	sample_2	isotropic	sample_conditions_1
3D H(CCO)NH	sample_2	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_2	isotropic	sample_conditions_1

Software:

VNMR, Varian - collection

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

Varian INOVA 600 MHz

PDB	1G33 1RTP 1RWY 1S3P 1XVJ 2JWW 3F45
GB	AAA41799 AAA41800 AAI26091 EDM15886 EDM15887
REF	NP_071944 XP_006241991
SP	P02625
AlphaFold	P02625