BMRB Entry 51688

Name: Chemical shift assignments of truncated structured core of HPy1 repetitive unit from Argiope argentata
Published: 2023-03-14

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51688

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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:

Chemical shift assignments of truncated structured core of HPy1 repetitive unit from Argiope argentata

Deposition date:

2022-11-05

Original release date:

2023-03-14

Authors:

Simmons, Jeffrey; Rainey, Jan

Citation:

Citation: Simmons, Jeffrey; Gasmi-Seabrook, Genevieve; Rainey, Jan. "Structural Features, Intrinsic Disorder, and Modularity of a Pyriform Spidroin 1 Core Repetitive Domain" Biochem. Cell Biol. 101, 271-283 (2023).
PubMed: 36802452

Assembly members:

Assembly members:
entity_1, polymer, 144 residues, 14627.0483 Da.

Natural source:

Natural source: Common Name: Argiope argentata Taxonomy ID: 233271 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Argiope argentata

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET32

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MGHHHHHHSSAPVYFNSQTL TNNLASSLQSLNALNYVSNG QLSSSDVASTVARAVAQSLG LSQGSVQNIMSQQLSSIGSG ASTSSLSQAIANAVSSAVQG SQAAAPGQEQSIAQRVNSAI SSAFAQLISQRTAPAPAPRP RPAS

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	528
15N chemical shifts	144
1H chemical shifts	803

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	HPy1 N2C2 v3	1

Entities:

Entity 1, HPy1 N2C2 v3 144 residues - 14627.0483 Da.

1

MET

GLY

HIS

SER

2

ALA

PRO

VAL

TYR

PHE

ASN

SER

GLN

THR

LEU

3

THR

ASN

LEU

ALA

SER

LEU

GLN

SER

4

LEU

ASN

ALA

LEU

ASN

TYR

VAL

SER

ASN

GLY

5

GLN

LEU

SER

ASP

VAL

ALA

SER

THR

6

VAL

ALA

ARG

ALA

VAL

ALA

GLN

SER

LEU

GLY

7

LEU

SER

GLN

GLY

SER

VAL

GLN

ASN

ILE

MET

8

SER

GLN

LEU

SER

ILE

GLY

SER

GLY

9

ALA

SER

THR

SER

LEU

SER

GLN

ALA

ILE

10

ALA

ASN

ALA

VAL

SER

ALA

VAL

GLN

GLY

11

SER

GLN

ALA

PRO

GLY

GLN

GLU

GLN

12

SER

ILE

ALA

GLN

ARG

VAL

ASN

SER

ALA

ILE

13

SER

ALA

PHE

ALA

GLN

LEU

ILE

SER

GLN

14

ARG

THR

ALA

PRO

ALA

PRO

ALA

PRO

ARG

PRO

15

ARG

PRO

ALA

SER

Samples:

sample_1: DSS 1.0 mM; NaN3 1.0 mM; HPy1 N2C2 v3, [U-100% 13C; U-100% 15N], 0.5 mM

sample_conditions_1: ionic strength: 0.050 M; pH: 6.000; pressure: 1.000 atm; temperature: 313.150 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCACB	sample_1	isotropic	sample_conditions_1
N2C2 CbCaCONH (H[N[co[{CA\|ca[C]}]]])	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
N2C2 HNCaCO (HNcaCO)	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC/HMQC	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D HCCH-COSY	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC/HMQC	sample_1	isotropic	sample_conditions_1

Software:

CcpNmr Analysis v2.4 - chemical shift assignment, data analysis

DANGLE v1.1 - data analysis

PyRPF v0.4 - data analysis

NMR spectrometers:

Bruker Ascend 800 MHz

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