BMRB Entry 17827
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17827
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Title: 1H, 13C, and 15N Chemical Shift Assignments for Kindle-2 N-terminus PubMed: 22078565
Deposition date: 2011-08-03 Original release date: 2011-12-01
Authors: Perera, H.; Ma, Yan-Qing; Yang, Jun; Hirbawi, Jamila; Plow, Edward; Qin, Jun
Citation: Perera, H.; Ma, Yan-Qing; Yang, Jun; Hirbawi, Jamila; Plow, Edward; Qin, Jun. "Membrane Binding of the N-Terminal Ubiquitin-Like Domain of kindlin-2 Is Crucial for Its Regulation of Integrin Activation" Structure 19, 1664-1671 (2011).
Assembly members:
entity, polymer, 112 residues, 10895.647 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):
entity: GAMPDEFMALDGIRMPDGCY
ADGTWELSVHVTDVNRDVTL
RVTGEVHIGGVMLKLVEKLD
VKKDWSDHALWWEKKRTWLL
KTHWTLDKYGIQADAKLQFT
PQHKLLRLQLPN
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 398 |
| 15N chemical shifts | 103 |
| 1H chemical shifts | 581 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | k2-n | 1 |
Entities:
Entity 1, k2-n 112 residues - 10895.647 Da.
Residues 1-7 represent a non-native cloning artifacts
| 1 | GLY | ALA | MET | PRO | ASP | GLU | PHE | MET | ALA | LEU | ||||
| 2 | ASP | GLY | ILE | ARG | MET | PRO | ASP | GLY | CYS | TYR | ||||
| 3 | ALA | ASP | GLY | THR | TRP | GLU | LEU | SER | VAL | HIS | ||||
| 4 | VAL | THR | ASP | VAL | ASN | ARG | ASP | VAL | THR | LEU | ||||
| 5 | ARG | VAL | THR | GLY | GLU | VAL | HIS | ILE | GLY | GLY | ||||
| 6 | VAL | MET | LEU | LYS | LEU | VAL | GLU | LYS | LEU | ASP | ||||
| 7 | VAL | LYS | LYS | ASP | TRP | SER | ASP | HIS | ALA | LEU | ||||
| 8 | TRP | TRP | GLU | LYS | LYS | ARG | THR | TRP | LEU | LEU | ||||
| 9 | LYS | THR | HIS | TRP | THR | LEU | ASP | LYS | TYR | GLY | ||||
| 10 | ILE | GLN | ALA | ASP | ALA | LYS | LEU | GLN | PHE | THR | ||||
| 11 | PRO | GLN | HIS | LYS | LEU | LEU | ARG | LEU | GLN | LEU | ||||
| 12 | PRO | ASN |
Samples:
sample_1: k2-n, [U-100% 13C; U-100% 15N], 1 mM; sodium phosphate 50 mM; sodium chloride 100 mM; sodium azide 0.05%; H2O 90%; D2O 10%
sample_2: k2-n 1 mM; sodium phosphate 50 mM; sodium chloride 100 mM; sodium azide 0.05%; H2O 90%; D2O 10%
sample_3: k2-n, [U-100% 15N], 0.1 mM; sodium phosphate 50 mM; sodium chloride 100 mM; sodium azide 0.05%; D2O 100%
sample_conditions_1: ionic strength: 0.1 M; pH: 6.8; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | 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 HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 13C-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_3 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
PIPP, Garrett - data analysis
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution
NMRView, Johnson, One Moon Scientific - data analysis
TALOS, Cornilescu, Delaglio and Bax - geometry optimization
Procheck, Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Tho - data analysis
PASA, Xu, Wang, Yang, Vaynberg, Xu, and Qin - chemical shift assignment
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 800 MHz
- Bruker Avance 900 MHz
Related Database Links:
| PDB | |
| DBJ | BAC37692 BAE26194 BAE38850 BAF84427 |
| EMBL | CAA80852 CAD61925 |
| GB | AAH17327 AAH33436 AAH83876 AAI08179 AAI51293 |
| REF | NP_001011915 NP_001094734 NP_001128471 NP_001128472 NP_001253248 |
| SP | Q8CIB5 Q96AC1 |
| TPG | DAA25234 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts