BMRB Entry 30659
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30659
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Title: Solution structure of paxillin LIM4 in complex with kindlin-2 F0 PubMed: 31590942
Deposition date: 2019-08-26 Original release date: 2019-10-16
Authors: Zhu, L.; Qin, J.
Citation: Zhu, Liang; Liu, Huan; Lu, Fan; Yang, Jun; Byzova, Tatiana; Qin, Jun. "Structural Basis of Paxillin Recruitment by Kindlin-2 in Regulating Cell Adhesion" Structure ., .-. (2019).
Assembly members:
entity_1, polymer, 112 residues, 13002.017 Da.
entity_2, polymer, 72 residues, 8309.760 Da.
entity_ZN, non-polymer, 65.409 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 BL21(DE3)
Entity Sequences (FASTA):
entity_1: GAMDPEFMALDGIRMPDGCY
ADGTWELSVHVTDLNRDVTL
RVTGEVHIGGVMLKLVEKLD
VKKDWSDHALWWEKKRTWLL
KTHWTLDKYGIQADAKLQFT
PQHKLLRLQLPN
entity_2: GAMDPEFYHERRGSLCSGCQ
KPITGRCITAMAKKFHPEHF
VCAFCLKQLNKGTFKEQNDK
PYCQNCFLKLFC
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 506 |
| 15N chemical shifts | 150 |
| 1H chemical shifts | 985 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
| 2 | entity_2 | 2 |
| 3 | entity_3, 1 | 3 |
| 4 | entity_3, 2 | 3 |
Entities:
Entity 1, entity_1 112 residues - 13002.017 Da.
| 1 | GLY | ALA | MET | ASP | PRO | 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 | LEU | 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 |
Entity 2, entity_2 72 residues - 8309.760 Da.
| 1 | GLY | ALA | MET | ASP | PRO | GLU | PHE | TYR | HIS | GLU | ||||
| 2 | ARG | ARG | GLY | SER | LEU | CYS | SER | GLY | CYS | GLN | ||||
| 3 | LYS | PRO | ILE | THR | GLY | ARG | CYS | ILE | THR | ALA | ||||
| 4 | MET | ALA | LYS | LYS | PHE | HIS | PRO | GLU | HIS | PHE | ||||
| 5 | VAL | CYS | ALA | PHE | CYS | LEU | LYS | GLN | LEU | ASN | ||||
| 6 | LYS | GLY | THR | PHE | LYS | GLU | GLN | ASN | ASP | LYS | ||||
| 7 | PRO | TYR | CYS | GLN | ASN | CYS | PHE | LEU | LYS | LEU | ||||
| 8 | PHE | CYS |
Entity 3, entity_3, 1 - Zn - 65.409 Da.
| 1 | ZN |
Samples:
sample_1: paxillin LIM4, [U-15N; U-13C], 0.55 mM; kindlin-2 F0 0.89 mM; NaCl 50 mM
sample_2: paxillin LIM4 0.85 mM; kindlin-2 F0, U-15N, U-13C, 0.54 mM; NaCl 50 mM
sample_3: paxillin LIM4, U-15N, U-13C, 0.55 mM; kindlin-2 F0 0.89 mM; NaCl 50 mM
sample_4: paxillin LIM4 0.85 mM; kindlin-2 F0, U-15N, U-13C, 0.54 mM; NaCl 50 mM
sample_conditions_1: ionic strength: 50 mM; pH: 6.8; pressure: 1 Pa; temperature: 298 K
sample_conditions_2: ionic strength: 50 mM; pH: 6.8; pressure: 1 Pa; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 15N/13C-edited NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 15N/13C-edited NOESY | sample_2 | isotropic | sample_conditions_1 |
| 3D 15N/13C-filtered NOESY | sample_3 | isotropic | sample_conditions_2 |
| 3D 15N/13C-filtered NOESY | sample_4 | isotropic | sample_conditions_2 |
Software:
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis
PIPP, Garrett - peak picking
TALOS, Cornilescu, Delaglio and Bax - data analysis
NMR spectrometers:
- Bruker AVANCE III 850 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts