BMRB Entry 7322

Name: Chemical Shift Assignments for calcium-free rat beta-parvalbumin
Published: 2007-10-09

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PDB ID: 2nln
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR7322
MolProbity Validation Chart

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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:

Chemical Shift Assignments for calcium-free rat beta-parvalbumin

Deposition date:

2006-10-23

Original release date:

2007-10-09

Authors:

Henzl, Michael; Tanner, John

Citation:

Citation: Henzl, Michael; Tanner, John. "Solution structure of Ca2+-free rat beta-parvalbumin (oncomodulin)." Protein Sci. 16, 1914-1926 (2007).
PubMed: 17766386

Assembly members:

Assembly members:
oncomodulin, polymer, 108 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Rat Taxonomy ID: 100116 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Rattus norvegicus

Experimental source:

Experimental source: Production method: recombinant technology Vector: pBluescript

Entity Sequences (FASTA):

Entity Sequences (FASTA):
oncomodulin: SITDILSAEDIAAALQECQD PDTFEPQKFFQTSGLSKMSA SQVKDIFRFIDNDQSGYLDG DELKYFLQKFQSDARELTES ETKSLMDAADNDGDGKIGAD EFQEMVHS

Data sets:

assigned_chemical_shifts
- chem_shift_list_1

Data type	Count
13C chemical shifts	445
15N chemical shifts	118
1H chemical shifts	724

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	apo-oncomodulin	1

Entities:

Entity 1, apo-oncomodulin 108 residues - Formula weight is not available

1

SER

ILE

THR

ASP

ILE

LEU

SER

ALA

GLU

ASP

2

ILE

ALA

LEU

GLN

GLU

CYS

GLN

ASP

3

PRO

ASP

THR

PHE

GLU

PRO

GLN

LYS

PHE

4

GLN

THR

SER

GLY

LEU

SER

LYS

MET

SER

ALA

5

SER

GLN

VAL

LYS

ASP

ILE

PHE

ARG

PHE

ILE

6

ASP

ASN

ASP

GLN

SER

GLY

TYR

LEU

ASP

GLY

7

ASP

GLU

LEU

LYS

TYR

PHE

LEU

GLN

LYS

PHE

8

GLN

SER

ASP

ALA

ARG

GLU

LEU

THR

GLU

SER

9

GLU

THR

LYS

SER

LEU

MET

ASP

ALA

ASP

10

ASN

ASP

GLY

ASP

GLY

LYS

ILE

GLY

ALA

ASP

11

GLU

PHE

GLN

GLU

MET

VAL

HIS

SER

Samples:

sample_1: oncomodulin, [U-95% 13C; U-95% 15N], 4 ± 0.2 mM; sodium chloride 150 ± 1 mM; Mes 10 ± 0.1 mM; EDTA 5 ± 0.1 mM; deuterium oxide 10 ± 1 per cent

sample_2: oncomodulin, [U-95% 15N], 4 ± 0.2 mM; sodium chloride 150 ± 1 mM; Mes 10 ± 0.1 mM; deuterium oxide 10 ± 1 per cent; EDTA 5 ± 0.1 mM

conditions_1: ionic strength: 170 mM; pH: 6.0; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
1H15N_HSQC	sample_2	not available	conditions_1
HNCO	sample_1	not available	conditions_1
HN(CA)CO	sample_1	not available	conditions_1
HNCA	sample_1	not available	conditions_1
HN(CO)CA	sample_1	not available	conditions_1
CBCACONH	sample_1	not available	conditions_1
HNCACB	sample_1	not available	conditions_1
CCONH	sample_1	not available	conditions_1
HCCONH	sample_1	not available	conditions_1
HCCH-TOCSY	sample_1	not available	conditions_1
HBHACONH	sample_1	not available	conditions_1
1H15N_TOCSY_HSQC	sample_2	not available	conditions_1
HBCBCGCDHD	sample_1	not available	conditions_1
HBCBCGCDCEHE	sample_1	not available	conditions_1

Software:

No software information available

NMR spectrometers:

Varian Inova 600 MHz

PDB	1OMD 1RRO 2NLN
EMBL	CAA33840
GB	AAA41756 EDL89641 EDL89642
REF	NP_037127 XP_006248914
SP	P02631
AlphaFold	P02631