BMRB Entry 18772
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18772
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Title: Backbone 1H, 13C, and 15N Chemical Shift Assignments for Staphylococcal Complement Inhibitor SCIN-A PubMed: 23233676
Deposition date: 2012-10-09 Original release date: 2013-01-29
Authors: Garcia, Brandon; Laity, John
Citation: Garcia, Brandon; Summers, Brady; Ramyar, Kasra; Tzekou, Apostolia; Lin, Zhuoer; Ricklin, Daniel; Lambris, John; Laity, John; Geisbrecht, Brian. "A Structurally Dynamic N-terminal Helix Is a Key Functional Determinant in Staphylococcal Complement Inhibitor (SCIN) Proteins." J. Biol. Chem. 288, 2870-2881 (2013).
Assembly members:
SCIN-A, polymer, 85 residues, Formula weight is not available
Natural source: Common Name: Staphylococcus aureus Taxonomy ID: 158878 Superkingdom: Bacteria Kingdom: not available Genus/species: Staphylococcus aureus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
SCIN-A: STSLPTSNEYQNEKLANELK
SLLDELNVNELATGSLNTYY
KRTIKISGQKAMYALKSKDF
KKMSEAKYQLQKIYNEIDEA
LKSKY
- assigned_chemical_shifts
- heteronucl_NOEs
- heteronucl_T1_relaxation
- heteronucl_T2_relaxation
Data type | Count |
13C chemical shifts | 240 |
15N chemical shifts | 78 |
1H chemical shifts | 78 |
heteronuclear NOE values | 84 |
T1 relaxation values | 63 |
T2 relaxation values | 85 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | SCIN-A | 1 |
Entities:
Entity 1, SCIN-A 85 residues - Formula weight is not available
1 | SER | THR | SER | LEU | PRO | THR | SER | ASN | GLU | TYR | ||||
2 | GLN | ASN | GLU | LYS | LEU | ALA | ASN | GLU | LEU | LYS | ||||
3 | SER | LEU | LEU | ASP | GLU | LEU | ASN | VAL | ASN | GLU | ||||
4 | LEU | ALA | THR | GLY | SER | LEU | ASN | THR | TYR | TYR | ||||
5 | LYS | ARG | THR | ILE | LYS | ILE | SER | GLY | GLN | LYS | ||||
6 | ALA | MET | TYR | ALA | LEU | LYS | SER | LYS | ASP | PHE | ||||
7 | LYS | LYS | MET | SER | GLU | ALA | LYS | TYR | GLN | LEU | ||||
8 | GLN | LYS | ILE | TYR | ASN | GLU | ILE | ASP | GLU | ALA | ||||
9 | LEU | LYS | SER | LYS | TYR |
Samples:
sample_1: SCIN-A, [U-13C; U-15N], 800 uM; H2O 95%; D2O 5%
sample_conditions_1: ionic strength: 0.0 M; pH: 6.9; pressure: 1 atm; temperature: 273 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
3D HNCA | sample_1 | isotropic | sample_conditions_1 |
3D HNCO | sample_1 | isotropic | sample_conditions_1 |
3D H(CA)CO(CA)NH | sample_1 | isotropic | sample_conditions_1 |
3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax, Johnson, One Moon Scientific - chemical shift assignment, collection, data analysis, peak picking, processing
NMR spectrometers:
- Varian INOVA 600 MHz
Related Database Links:
PDB | |
DBJ | BAB43028 BAB58104 BAB95749 BAF68148 BAF78810 |
EMBL | CAG41021 CAG43672 CBI49810 CBX35157 CCE59622 |
GB | AAL82379 ABD22701 ABD31213 ABF73224 ABQ49783 |
REF | NP_803404 NP_835579 WP_000702262 WP_000702263 WP_001591359 |
SP | A6QIG6 A7X482 Q2FFF8 Q2FWV6 Q6G7Z2 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts