BMRB Entry 51991

Name: 1H, 13C, 15N NMR assignment of the dimeric form of CTD MaSp2 from Latrodectus hesperus
Published: 2023-10-03

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51991

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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:

1H, 13C, 15N NMR assignment of the dimeric form of CTD MaSp2 from Latrodectus hesperus

Deposition date:

2023-06-06

Original release date:

2023-10-03

Authors:

Oktaviani, Nur Alia; Malay, Ali; Goto, Mami; Nagashima, Toshio; Hayashi, Fumiaki; Numata, Keiji

Citation:

Citation: Oktaviani, Nur Alia; Malay, Ali; Goto, Mami; Nagashima, Toshio; Hayashi, Fumiaki; Numata, Keiji. "NMR assignment and dynamics of the dimeric form of soluble C-terminal domain major ampullate spidroin 2 from Latrodectus hesperus" Biomol. NMR Assign. 17, 249-255 (2023).
PubMed: 37668860

Assembly members:

Assembly members:
entity_1, polymer, 125 residues, Formula weight is not available

Natural source:

Natural source: Common Name: western black widow Taxonomy ID: 256737 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Latrodectus hesperus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET15b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GSHMGSGGYGPSQYVPSSVA SSAASAASALSSPTTHARIS SHASTLLSSGPTNAAALSNV ISNAVSQVSASNPGSSSCDV LVQALLEIITALISILDSSS VGQVNYGSSGQYAQIVGQSM QQAMG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	383
15N chemical shifts	108
1H chemical shifts	468

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CTD MaSp2, chain A	1
2	CTD MaSp2, chain B	1

Entities:

Entity 1, CTD MaSp2, chain A 125 residues - Formula weight is not available

1

GLY

SER

HIS

MET

GLY

SER

GLY

TYR

GLY

2

PRO

SER

GLN

TYR

VAL

PRO

SER

VAL

ALA

3

SER

ALA

SER

ALA

SER

ALA

LEU

4

SER

PRO

THR

HIS

ALA

ARG

ILE

SER

5

SER

HIS

ALA

SER

THR

LEU

SER

GLY

6

PRO

THR

ASN

ALA

LEU

SER

ASN

VAL

7

ILE

SER

ASN

ALA

VAL

SER

GLN

VAL

SER

ALA

8

SER

ASN

PRO

GLY

SER

CYS

ASP

VAL

9

LEU

VAL

GLN

ALA

LEU

GLU

ILE

THR

10

ALA

LEU

ILE

SER

ILE

LEU

ASP

SER

11

VAL

GLY

GLN

VAL

ASN

TYR

GLY

SER

GLY

12

GLN

TYR

ALA

GLN

ILE

VAL

GLY

GLN

SER

MET

13

GLN

ALA

MET

GLY

Samples:

sample_1: C-terminal domain of MaSp2 from Latrodectus hesperus, [U-100% 13C; U-100% 15N], 0.9 mM; D2O, [U-2H], 10%; DSS 0.1 mM; NaCl 300 mM; potassium phosphate 10 mM

sample_conditions_1: ionic strength: 0.3 M; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D CBCACONH	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
2D H(C)CO	sample_1	isotropic	sample_conditions_1
2D H2(C)N	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe - processing

NMRFAM-SPARKY - chemical shift assignment

NMR spectrometers:

Bruker Avance 700 MHz

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