BMRB Entry 27460

Name: chemical shift assignnment of recombinant repetitive domain of spider dragline silk
Published: 2018-04-27

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27460

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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 assignnment of recombinant repetitive domain of spider dragline silk

Deposition date:

2018-04-23

Original release date:

2018-04-27

Authors:

Oktaviani, Nur; Matsugami, Akimasa; Malay, Ali; Hayashi, Fumiaki; Kaplan, David; Numata, Keiji

Citation:

Citation: Oktaviani, Nur; Matsugami, Akimasa; Malay, Ali; Hayashi, Fumiaki; Kaplan, David; Numata, Keiji. "Conformation and dynamics of soluble repetitive domain elucidates the initial beta-sheet formation of spider silk" Nat. Commun. 9, 2121-2121 (2018).
PubMed: 29844575

Assembly members:

Assembly members:
repetitive_domain_spider_dragline_silk, polymer, 82 residues, Formula weight is not available

Natural source:

Natural source: Common Name: spider Taxonomy ID: 6915 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Nephila clavipes

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET30a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
repetitive_domain_spider_dragline_silk: MHHHHHHSSGLVPRGSGMKE TAAAKFERQHMDSPDLGTDD DDKAMAASGRGGLGGQGAGA AAAAGGAGQGGYGGLGSQGT SG

Data sets:

assigned_chemical_shifts

Data type	Count
13C chemical shifts	860
15N chemical shifts	309
1H chemical shifts	1166

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	repetitive domain spider dragline silk monomer	1
2	repetitive domain spider dragline silk dimer	1
3	repetitive domain spider dragline silk trimer	1
4	repetitive domain spider dragline silk hexamer	1
5	repetitive domain spider dragline silk 15-mer	1

Entities:

Entity 1, repetitive domain spider dragline silk monomer 82 residues - Formula weight is not available

1

MET

HIS

SER

GLY

2

LEU

VAL

PRO

ARG

GLY

SER

GLY

MET

LYS

GLU

3

THR

ALA

LYS

PHE

GLU

ARG

GLN

HIS

4

MET

ASP

SER

PRO

ASP

LEU

GLY

THR

ASP

5

ASP

LYS

ALA

MET

ALA

SER

GLY

ARG

6

GLY

LEU

GLY

GLN

GLY

ALA

GLY

ALA

7

ALA

GLY

ALA

GLY

GLN

GLY

8

GLY

TYR

GLY

LEU

GLY

SER

GLN

GLY

THR

9

SER

GLY

Samples:

sample_1: repetitive domain spider dragline silk, [U-100% 13C; U-100% 15N], 1.85 mM; sodium phosphate 10 mM; D2O, [U-100% 2H], 10%; DSS 0.1 mM

sample_conditions_1: ionic strength: 10 mM; pH: 7; pressure: 1 atm; temperature: 283 K

Experiments:

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

Software:

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

Bruker Avance 700 MHz
JEOL ECA 600 MHz

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