BMRB Entry 34123

Name: Solution structure of Drosophila melanogaster Loquacious dsRBD2
Published: 2017-10-31

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PDB ID: 5npa
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR34123
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:

Solution structure of Drosophila melanogaster Loquacious dsRBD2

Deposition date:

2017-04-16

Original release date:

2017-10-31

Authors:

Tants, J.N.; Fesser, S.; Kern, T.; Stehle, R.; Geerlof, A.; Wunderlich, C.; Boettcher, R.; Kunzelmann, S.; Lange, O.; Kreutz, C.; Foerstemann, K.; Sattler, M.

Citation:

Citation: Tants, J.N.; Fesser, S.; Kern, T.; Stehle, R.; Geerlof, A.; Wunderlich, C.; Juen, M.; Hartlmuller, C.; Boettcher, R.; Kunzelmann, S.; Lange, O.; Kreutz, C.; Foerstemann, K.; Sattler, M.. "Molecular basis for asymmetry sensing of siRNAs by the Drosophila Loqs-PD / Dcr-2 complex in RNA interference" Nucleic Acids Res. 45, 12536-12550 (2017).
PubMed: 29040648

Assembly members:

Assembly members:
entity_1, polymer, 72 residues, 8535.046 Da.

Natural source:

Natural source: Common Name: Fruit fly Taxonomy ID: 7227 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Drosophila melanogaster

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: DKTVGIGWLQEMCMQRRWPP PSYETETEVGLPHERLFTIA CSILNYREMGKGKSKKIAKR LAAHRMWMRLQE

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	142
15N chemical shifts	59
1H chemical shifts	359

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 72 residues - 8535.046 Da.

1

ASP

LYS

THR

VAL

GLY

ILE

GLY

TRP

LEU

GLN

2

GLU

MET

CYS

MET

GLN

ARG

TRP

PRO

3

PRO

SER

TYR

GLU

THR

GLU

THR

GLU

VAL

GLY

4

LEU

PRO

HIS

GLU

ARG

LEU

PHE

THR

ILE

ALA

5

CYS

SER

ILE

LEU

ASN

TYR

ARG

GLU

MET

GLY

6

LYS

GLY

LYS

SER

LYS

ILE

ALA

LYS

ARG

7

LEU

ALA

HIS

ARG

MET

TRP

MET

ARG

LEU

8

GLN

GLU

Samples:

sample_1: dsRBD2, [U-13C; U-15N], 2 ± 0.2 g/L; NaCl 500 mM; PO4 20 mM

sample_conditions_1: ionic strength: 520 mM; pH: 6.5; pressure: 101325 Pa; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCACO	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HN(COCA)CB	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1

Software:

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

CS-Rosetta vautoNOE Rosetta, Shen, Vernon, Baker and Bax - structure calculation

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

Bruker AvanceIII 900 MHz

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