BMRB Entry 19579

Name: NMR structure of C-terminal domain from A. ventricosus minor ampullate spidroin (MiSp)
Published: 2014-08-25

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PDB ID: 2mfz
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19579
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

NMR structure of C-terminal domain from A. ventricosus minor ampullate spidroin (MiSp)

Deposition date:

2013-10-24

Original release date:

2014-08-25

Authors:

Otikovs, Martins; Jaudzems, Kristaps; Andersson, Marlene; Chen, Gefei; Landreh, Michael; Nordling, Kerstin; Kronqvist, Nina; Westermark, Per; Jornvall, Hans; Knight, Stefan; Ridderstrale, Yvonne; Holm, Lena; Meng, Qing; Chesler, Mitchell; Johansson, Jan; Rising, Anna

Citation:

Citation: Otikovs, Martins; Jaudzems, Kristaps; Andersson, Marlene; Chen, Gefei; Landreh, Michael; Nordling, Kerstin; Kronqvist, Nina; Westermark, Per; Jornvall, Hans; Knight, Stefan; Ridderstrale, Yvonne; Holm, Lena; Meng, Qing; Chesler, Mitchell; Johansson, Jan; Rising, Anna. "Carbonic Anhydrase Generates CO2 and H+ That Drive Spider Silk Formation Via Opposite Effects on the Terminal Domains" Plos Biol. 12, e1001921-e1001921 (2014).
PubMed: 25093327

Assembly members:

Assembly members:
MiSp-CT, polymer, 125 residues, 11766.900 Da.

Natural source:

Natural source: Common Name: Orbweaver spider Taxonomy ID: 182803 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Araneus ventricosus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: modified pET vector

Entity Sequences (FASTA):

Entity Sequences (FASTA):
MiSp-CT: GSGNSVTSGGYGYGTSAAAG AGVAAGSYAGAVNRLSSAEA ASRVSSNIAAIASGGASALP SVISNIYSGVVASGVSSNEA LIQALLELLSALVHVLSSAS IGNVSSVGVDSTLNVVQDSV GQYVG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	463
15N chemical shifts	130
1H chemical shifts	749

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	MiSp-CT, 1	1
2	MiSp-CT, 2	1

Entities:

Entity 1, MiSp-CT, 1 125 residues - 11766.900 Da.

Residues -5 to -1 represent a non-native expression tag

1

GLY

SER

GLY

ASN

SER

VAL

THR

SER

GLY

2

TYR

GLY

TYR

GLY

THR

SER

ALA

GLY

3

ALA

GLY

VAL

ALA

GLY

SER

TYR

ALA

GLY

4

ALA

VAL

ASN

ARG

LEU

SER

ALA

GLU

ALA

5

ALA

SER

ARG

VAL

SER

ASN

ILE

ALA

6

ILE

ALA

SER

GLY

ALA

SER

ALA

LEU

PRO

7

SER

VAL

ILE

SER

ASN

ILE

TYR

SER

GLY

VAL

8

VAL

ALA

SER

GLY

VAL

SER

ASN

GLU

ALA

9

LEU

ILE

GLN

ALA

LEU

GLU

LEU

SER

10

ALA

LEU

VAL

HIS

VAL

LEU

SER

ALA

SER

11

ILE

GLY

ASN

VAL

SER

VAL

GLY

VAL

ASP

12

SER

THR

LEU

ASN

VAL

GLN

ASP

SER

VAL

13

GLY

GLN

TYR

VAL

GLY

Samples:

sample_1: Minor ampullate spidroin CT, [U-99% 13C; U-99% 15N], 1 mM; sodium phosphate 20 mM; sodium chloride 20 mM; sodium azide 0.03%; D2O, [U-100% 2H], 8%; H2O 92%

sample_2: Minor ampullate spidroin CT, [U-99% 13C; U-99% 15N], 0.25 mM; Minor ampullate spidroin CT 0.25 mM; sodium phosphate 20 mM; sodium chloride 20 mM; sodium azide 0.03%; D2O, [U-100% 2H], 8%; H2O 92%

sample_conditions_1: ionic strength: 0.0688 M; pH: 6.8; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	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 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1
3D 13C,15N filtered 1H-13C NOESY aliphatic	sample_2	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_1

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

CARA, Keller and Wuthrich - chemical shift assignment, data analysis

UNIO, T. Herrmann, F. Fiorito, J. Volk - peak picking

VNMRJ, Varian - collection

TOPSPIN, Bruker Biospin - processing

NMR spectrometers:

Varian INOVA 600 MHz

PDB	2MFZ
GB	AFV31615