BMRB Entry 19403

Name: The Clip-segment of the von Willebrand domain 1 of the BMP modulator protein Crossveinless 2 is preformed
Published: 2013-10-14

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PDB ID: 2mbk
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19403
MolProbity Validation Chart

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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: The Clip-segment of the von Willebrand domain 1 of the BMP modulator protein Crossveinless 2 is preformed PubMed: 24071977

Deposition date: 2013-08-02 Original release date: 2013-10-14

Authors: Mueller, Thomas; Fiebig, Juliane; Weidauer, Stella; Qiu, Li-Yan; Bauer, Markus; Schmieder, Peter; Beerbaum, Monika; Zhang, Jin-Li; Oschkinat, Hartmut; Sebald, Walter

Citation: Fiebig, Juliane; Weidauer, Stella; Qiu, Li-Yan; Bauer, Markus; Schmieder, Peter; Beerbaum, Monika; Zhang, Jin-Li; Oschkinat, Hartmut; Sebald, Walter; Mueller, Thomas. "The Clip-Segment of the von Willebrand Domain 1 of the BMP Modulator Protein Crossveinless 2 Is Preformed" Molecules 18, 11658-11682 (2013).

Assembly members:
entity, polymer, 67 residues, 7192.319 Da.

Natural source: Common Name: zebrafish Taxonomy ID: 7955 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Danio rerio

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

Entity Sequences (FASTA):
entity: WLITGTEASCENEGEVLHIP NITDNPCISCVCLNQKAECK QEKCAPLAEDCALVVKQTGA CCEKCKG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	195
15N chemical shifts	63
1H chemical shifts	419

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Clip-segment of the von Willebrand domain 1 of Crossveinless 2	1

Entities:

Entity 1, Clip-segment of the von Willebrand domain 1 of Crossveinless 2 67 residues - 7192.319 Da.

residues L1 to G66 represent the first von Willebrand type C domain of Danio rerio Crossveinless 2. Numbering refers to mature part.

1

TRP

LEU

ILE

THR

GLY

THR

GLU

ALA

SER

CYS

2

GLU

ASN

GLU

GLY

GLU

VAL

LEU

HIS

ILE

PRO

3

ASN

ILE

THR

ASP

ASN

PRO

CYS

ILE

SER

CYS

4

VAL

CYS

LEU

ASN

GLN

LYS

ALA

GLU

CYS

LYS

5

GLN

GLU

LYS

CYS

ALA

PRO

LEU

ALA

GLU

ASP

6

CYS

ALA

LEU

VAL

LYS

GLN

THR

GLY

ALA

7

CYS

GLU

LYS

CYS

LYS

GLY

Samples:

sample_1: CV2 VWC1, [U-99% 13C; U-99% 15N], 2 mM; sodium phosphate 20 mM; sodium chloride 20 mM; D2O, [U-2H], 5%; sodium azide 0.2%; H2O, [U-2H], 95%

sample_2: CV2 VWC1, [U-99% 15N], 1.5 mM; sodium phosphate 20 mM; sodium chloride 20 mM; D2O, [U-2H], 5%; sodium azide 0.2%; H2O, [U-2H], 95%

sample_3: CV2 VWC1 2 mM; sodium phosphate 20 mM; sodium chloride 20 mM; D2O, [U-2H], 5%; sodium azide 0.2%; H2O, [U-2H], 95%

sample_conditions_1: ionic strength: 0.04 M; pH: 6.6; pressure: 1 atm; temperature: 300 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_3	isotropic	sample_conditions_1
2D DQF-COSY	sample_3	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_3	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_2	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_2	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	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 HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v2.1, Bruker Biospin - collection, processing

AURELIA v3.85, Neidig, Geyer, Gorler, Antz, Saffrich, Beneicke, Kalbitzer - chemical shift assignment, data analysis

X-PLOR NIH v2.29, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 900 MHz

EMBL	AAI46643.1
PDB	2MBK 3BK3
GB	AAI46643 AAI62513 AAX14720 ABD48948 AJG06024
REF	NP_001018323

Biological Magnetic Resonance Data Bank