BMRB Entry 15873

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR15873
MolProbity Validation Chart

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Title:
Solution Structure of Human Supervillin Headpiece
Deposition date:
2008-07-11
Original release date:
2009-09-03
Authors:
Brown, Jeffrey; Didem, Vardar-Ulu; McKnight, C. James
Citation:

Citation: Brown, Jeffrey; Vardar-Ulu, Didem; McKnight, C. James. "How to Arm a Supervillin: Designing F-Actin Binding Activity into Supervillin Headpiece"  J. Mol. Biol. 393, 608-618 (2009).
PubMed: 19683541

Assembly members:

Assembly members:
Supervillin_Headpiece, polymer, 67 residues, 7708.110 Da.

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pSVHP(pET24A)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Supervillin_Headpiece: MLAKLCKTIYPLADLLARPL PEGVDPLKLEIYLTDEDFEF ALDMTRDEYNALPAWKQVNL KKAKGLF

Data sets:
Data typeCount
13C chemical shifts183
15N chemical shifts60
1H chemical shifts434

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1Supervillin_Headpiece1

Entities:

Entity 1, Supervillin_Headpiece 67 residues - 7708.110 Da.

1   METLEUALALYSLEUCYSLYSTHRILETYR
2   PROLEUALAASPLEULEUALAARGPROLEU
3   PROGLUGLYVALASPPROLEULYSLEUGLU
4   ILETYRLEUTHRASPGLUASPPHEGLUPHE
5   ALALEUASPMETTHRARGASPGLUTYRASN
6   ALALEUPROALATRPLYSGLNVALASNLEU
7   LYSLYSALALYSGLYLEUPHE

Samples:

13C_15N: Supervillin Headpiece, [U-13C; U-15N], 1.3-2.5 mM; DTT 4 mM; sodium chloride 100 mM; TMSP 500 uM; sodium phosphate 20 mM

15N: Supervillin Headpiece, [U-15N], 1.3-2.5 mM; sodium phosphate 20 mM; TMSP 500 uM; DTT 4 mM; sodium chloride 100 mM

10%13C: Supervillin Headpiece, [U-10% 13C], 1.3-2.5 mM; DTT 4 mM; TMSP 500 uM; sodium chloride 100 mM; sodium phosphate 20 mM

Unlabeled: Supervillin Headpiece 1.3-2.5 mM; DTT 4 mM; TMSP 500 uM; sodium chloride 100 mM; sodium phosphate 20 mM

13C: Supervillin Headpiece, [U-13C], 1.3-2.5 mM; DTT 4 mM; sodium chloride 100 mM; sodium phosphate 20 mM; TMSP 500 uM

sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQC15Nisotropicsample_conditions_1
2D 1H-13C HSQC13Cisotropicsample_conditions_1
2D 1H-1H TOCSYUnlabeledisotropicsample_conditions_1
2D 1H-1H COSYUnlabeledisotropicsample_conditions_1
3D HNCA13C_15Nisotropicsample_conditions_1
3D HN(CO)CA13C_15Nisotropicsample_conditions_1
3D HCCH-TOCSY13Cisotropicsample_conditions_1
3D HCCH-COSY13Cisotropicsample_conditions_1
3D HNHA15Nisotropicsample_conditions_1
3D HNHB15Nisotropicsample_conditions_1
3D HN(CA)CO13C_15Nisotropicsample_conditions_1
2D 1H-1H NOESYUnlabeledisotropicsample_conditions_1
3D 1H-15N NOESY15Nisotropicsample_conditions_1
3D 1H-13C NOESY13Cisotropicsample_conditions_1
2D 1H-13C HSQC10%13Cisotropicsample_conditions_1
3D HMQC-J15Nisotropicsample_conditions_1

Software:

CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - geometry optimization

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

Molmol v2K.2, Koradi, Billeter and Wuthrich - Structural Alignment, Structural Visualization

xwinnmr v3.1, Bruker Biospin - collection

TALOS, Cornilescu, Delaglio and Bax - data analysis

PREDITOR, (PREDITOR) M. V. Berjanskii, S. Neal, D. S. Wishart - data analysis

NMRView v7.0.16, Johnson, One Moon Scientific - peak picking

NMR spectrometers:

  • Bruker DMX 500 MHz

Related Database Links:

BMRB 15874
PDB
DBJ BAG65483 BAG65549
EMBL CAH56147
GB AAC48783 AAC64695 AAC64696 AAD14682 AAH92440
REF NP_003165 NP_068506 NP_776615 XP_001083894 XP_001136112
SP O46385 O95425
AlphaFold O46385 O95425

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