BMRB Entry 19403

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PDB ID:
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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Title:
The Clip-segment of the von Willebrand domain 1 of the BMP modulator protein Crossveinless 2 is preformed
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:

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).
PubMed: 24071977

Assembly members:

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

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET32a

Entity Sequences (FASTA):

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

Data sets:
Data typeCount
13C chemical shifts195
15N chemical shifts63
1H chemical shifts419

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1Clip-segment of the von Willebrand domain 1 of Crossveinless 21

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   TRPLEUILETHRGLYTHRGLUALASERCYS
2   GLUASNGLUGLYGLUVALLEUHISILEPRO
3   ASNILETHRASPASNPROCYSILESERCYS
4   VALCYSLEUASNGLNLYSALAGLUCYSLYS
5   GLNGLULYSCYSALAPROLEUALAGLUASP
6   CYSALALEUVALVALLYSGLNTHRGLYALA
7   CYSCYSGLULYSCYSLYSGLY

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:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_3isotropicsample_conditions_1
2D DQF-COSYsample_3isotropicsample_conditions_1
2D 1H-1H NOESYsample_3isotropicsample_conditions_1
3D 1H-15N NOESYsample_2isotropicsample_conditions_1
3D 1H-15N TOCSYsample_2isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_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

Related Database Links:

EMBL AAI46643.1
PDB
GB AAI46643 AAI62513 AAX14720 ABD48948 AJG06024
REF NP_001018323

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