BMRB Entry 15874
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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/BMR15874
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Title: Solution Structure of Human Supervillin Headpiece, Minimized Average PubMed: 19683541
Deposition date: 2008-07-11 Original release date: 2009-09-03
Authors: Brown, Jeffrey; Didem, Vardar-Ulu; McKnight, C. James
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).
Assembly members:
Supervillin_Headpiece, polymer, 67 residues, 7708.110 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Supervillin_Headpiece: MLAKLCKTIYPLADLLARPL
PEGVDPLKLEIYLTDEDFEF
ALDMTRDEYNALPAWKQVNL
KKAKGLF
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 183 |
| 15N chemical shifts | 60 |
| 1H chemical shifts | 434 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Supervillin Headpiece | 1 |
Entities:
Entity 1, Supervillin Headpiece 67 residues - 7708.110 Da.
| 1 | MET | LEU | ALA | LYS | LEU | CYS | LYS | THR | ILE | TYR | ||||
| 2 | PRO | LEU | ALA | ASP | LEU | LEU | ALA | ARG | PRO | LEU | ||||
| 3 | PRO | GLU | GLY | VAL | ASP | PRO | LEU | LYS | LEU | GLU | ||||
| 4 | ILE | TYR | LEU | THR | ASP | GLU | ASP | PHE | GLU | PHE | ||||
| 5 | ALA | LEU | ASP | MET | THR | ARG | ASP | GLU | TYR | ASN | ||||
| 6 | ALA | LEU | PRO | ALA | TRP | LYS | GLN | VAL | ASN | LEU | ||||
| 7 | LYS | LYS | ALA | LYS | GLY | LEU | PHE |
Samples:
13C_15N: Supervillin Headpiece, [U-13C; U-15N], 1.3-2.5 mM; DTT 4 mM; TMSP 500 uM; sodium chloride 100 mM; sodium phosphate 20 mM
15N: Supervillin Headpiece, [U-15N], 1.3-2.5 mM; DTT 4 mM; TMSP 500 uM; sodium chloride 100 mM; sodium phosphate 20 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
13C: Supervillin Headpiece, [U-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
sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | 15N | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | 13C | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | Unlabeled | isotropic | sample_conditions_1 |
| 2D 1H-1H COSY | Unlabeled | isotropic | sample_conditions_1 |
| 3D HNCO | 13C_15N | isotropic | sample_conditions_1 |
| 3D HNCA | 13C_15N | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | 13C_15N | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | 13C_15N | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | 13C | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | 13C | isotropic | sample_conditions_1 |
| 3D HNHA | 15N | isotropic | sample_conditions_1 |
| 3D HNHB | 15N | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | Unlabeled | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | 15N | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | 13C | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | 10%13C | isotropic | sample_conditions_1 |
| 3D HMQC-J | 15N | isotropic | sample_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 | 15873 |
| 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 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts