BMRB Entry 34554

Name: NMR solution structure for Tsp1a
Published: 2021-09-01

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PDB ID: 7a64
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34554
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: NMR solution structure for Tsp1a

Deposition date: 2020-08-24 Original release date: 2021-09-01

Authors: Agwa, A.; Schroeder, C.

Citation: Agwa, A.; Schroeder, C.. "NMR solution structure for Tsp1a" .

Assembly members:
entity_1, polymer, 29 residues, 3400.052 Da.

Natural source: Common Name: spiders Taxonomy ID: 2013936 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Thrixopelma Thrixopelma sp. EUTSP1SVT

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: YCQKFLWTCDSERPCCEGLV CRLWCKINX

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	84
15N chemical shifts	26
1H chemical shifts	200

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 29 residues - 3400.052 Da.

1

TYR

CYS

GLN

LYS

PHE

LEU

TRP

THR

CYS

ASP

2

SER

GLU

ARG

PRO

CYS

GLU

GLY

LEU

VAL

3

CYS

ARG

LEU

TRP

CYS

LYS

ILE

ASN

NH2

Samples:

sample_1: entity_1 mM; H2O 90%

sample_2: entity_1 mM; H2O 90%

sample_3: entity_1 mM; H2O 90%

sample_4: entity_1 mM; D2O, [U-2H], 100%

sample_5: entity_1 mM; D2O, [U-2H], 100%

sample_6: entity_1 mM; D2O, [U-2H], 100%

sample_conditions_1: ionic strength: 1 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_2	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_4	isotropic	sample_conditions_1
2D 1H-15N HSQC NH2 only	sample_3	isotropic	sample_conditions_1
2D 1H-1H COSY	sample_5	isotropic	sample_conditions_1

Software:

TopSpin, Bruker Biospin - processing

CcpNmr Analysis v2.4.1, CCPN - chemical shift assignment

CYANA v3.97, 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 shifts
SPARKY: Backbone or all simulated shifts