BMRB Entry 4259

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4259

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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:

Sequential Assignment and Solution Secondary Structure of Doubly Labelled Ribonuclease Sa

Deposition date:

1998-10-29

Original release date:

1999-11-23

Authors:

Laurents, Douglas; Perez-Canadillas, Jose Manuel; Bruix, Marta; Santoro, Jorge; Schell, David; Hebert, Eric; Pace, C.; Rico, Manuel

Citation:

Citation: Laurents, Douglas; Perez-Canadillas, Jose Manuel; Santoro, Jorge; Rico, Manuel; Schell, David; Hebert, Eric; Pace, C.; Bruix, Marta. "Sequential Assignment and Solution Secondary Structure of Doubly Labelled Ribonuclease Sa" J. Biomol. NMR 14, 89-90 (1999).

Assembly members:

Assembly members:
RNAse-SA, polymer, 96 residues, Formula weight is not available

Natural source:

Natural source: Common Name: S. aureofaciens Taxonomy ID: 1894 Superkingdom: Eubacteria Kingdom: not available Genus/species: Streptomyces aureofaciens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pEH100

Entity Sequences (FASTA):

Entity Sequences (FASTA):
RNAse-SA: DVSGTVCLSALPPEATDTLN LIASDGPFPYSQDGVVFQNR ESVLPTQSYGYYHEYTVITP GARTRGTRRIITGEATQEDY YTGDHYATFSLIDQTC

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts

Data type	Count
13C chemical shifts	183
15N chemical shifts	96
1H chemical shifts	635

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	RNAse-SA	1

Entities:

Entity 1, RNAse-SA 96 residues - Formula weight is not available

1

ASP

VAL

SER

GLY

THR

VAL

CYS

LEU

SER

ALA

2

LEU

PRO

GLU

ALA

THR

ASP

THR

LEU

ASN

3

LEU

ILE

ALA

SER

ASP

GLY

PRO

PHE

PRO

TYR

4

SER

GLN

ASP

GLY

VAL

PHE

GLN

ASN

ARG

5

GLU

SER

VAL

LEU

PRO

THR

GLN

SER

TYR

GLY

6

TYR

HIS

GLU

TYR

THR

VAL

ILE

THR

PRO

7

GLY

ALA

ARG

THR

ARG

GLY

THR

ARG

ILE

8

ILE

THR

GLY

GLU

ALA

THR

GLN

GLU

ASP

TYR

9

TYR

THR

GLY

ASP

HIS

TYR

ALA

THR

PHE

SER

10

LEU

ILE

ASP

GLN

THR

CYS

Samples:

sample_one: RNAse-SA1.5 – 2.0 mM; H2O 90%; D2O 10%

sample_two: RNAse-SA1.5 – 2.0 mM; D2O 100%

sample_three: RNAse-SA, [U-15N], 1.5 – 2.0 mM; H2O 90%; D2O 10%

sample_four: RNAse-SA, [U-15N; 13C], 1.5 – 2.0 mM; H2O 90%; D2O 10%

sample_conditions_one: pH*: 5.5; temperature: 303.2 K

sample_conditions_two: pH*: 5.5; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
COSY	not available	not available	not available
NOESY	not available	not available	not available
TOCSY	not available	not available	not available
1H-15N TOCSY	not available	not available	not available
1H-15N NOESY	not available	not available	not available
HNCA	not available	not available	not available
HN(CO)CA	not available	not available	not available
HNCO	not available	not available	not available

Software:

ANSIG v3.3 - Used for assigning the spectra. Automatic peak picking in 2D

NMR spectrometers:

Bruker AMX 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks