BMRB Entry 30648

Name: Dg3b
Published: 2020-01-17

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PDB ID: 6px8
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30648
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:

Dg3b

Deposition date:

2019-07-25

Original release date:

2020-01-17

Authors:

Agwa, A.; Schroeder, C.

Citation:

Citation: Jin, Jiayi; Agwa, Akello; Szanto, Tibor; Csoti, Agota; Panyi, Gyorgy; Schroeder, Christina; Walker, Andrew; King, Glenn. "Weaponisation 'on the fly': Convergent recruitment of knottin and defensin peptide scaffolds into the venom of predatory assassin flies" Insect Biochem. Mol. Biol. 118, 103310-103310 (2020).
PubMed: 31870846

Assembly members:

Assembly members:
entity_1, polymer, 37 residues, 4147.926 Da.

Natural source:

Natural source: Common Name: Dolopus genitalis Taxonomy ID: 2488630 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Dolopus genitalis

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GITCDLIGNERLCVVHCLAK GFRGGWCDSRKVCNCRR

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	108
15N chemical shifts	39
1H chemical shifts	253

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 37 residues - 4147.926 Da.

1

GLY

ILE

THR

CYS

ASP

LEU

ILE

GLY

ASN

GLU

2

ARG

LEU

CYS

VAL

HIS

CYS

LEU

ALA

LYS

3

GLY

PHE

ARG

GLY

TRP

CYS

ASP

SER

ARG

4

LYS

VAL

CYS

ASN

CYS

ARG

Samples:

sample_1: Dg3b 1 mg/mL

sample_conditions_1: ionic strength: 0 M; pH: 4; pressure: 1 Pa; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_1	isotropic	sample_conditions_1

Software:

TopSpin, Bruker Biospin - processing

CcpNmr Analysis, CCPN - chemical shift assignment

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

Bruker Avance 600 MHz

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