BMRB Entry 16507
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16507
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Title: NMR structure of mouse Par3-PDZ3 in complex with VE-Cadherin C-terminus PubMed: 20047332
Deposition date: 2009-09-22 Original release date: 2010-01-28
Authors: Volkman, B.; Tyler, R.; Peterson, F.
Citation: Tyler, Robert; Peterson, Francis; Volkman, Brian. "Distal interactions within the par3-VE-cadherin complex." Biochemistry 49, 951-957 (2010).
Assembly members:
MmPar3_PDZ3, polymer, 111 residues, 11905.506 Da.
MmVE-Cadherin, polymer, 16 residues, 1821.067 Da.
Natural source: Common Name: Mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
MmPar3_PDZ3: GSDGTREFLTFEVPLNDSGS
AGLGVSVKGNRSKENHADLG
IFVKSIINGGAASKDGRLRV
NDQLIAVNGESLLGKANQEA
METLRRSMSTEGNKRGMIQL
IVARRISRCNE
MmVE-Cadherin: MLAELYGSDPQEELII
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 499 |
| 15N chemical shifts | 137 |
| 1H chemical shifts | 841 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | MmPar3 PDZ3 | 1 |
| 2 | MmVE-Cadherin | 2 |
Entities:
Entity 1, MmPar3 PDZ3 111 residues - 11905.506 Da.
The N-terminal GS dipeptide is a cloning artifact.
| 1 | GLY | SER | ASP | GLY | THR | ARG | GLU | PHE | LEU | THR | ||||
| 2 | PHE | GLU | VAL | PRO | LEU | ASN | ASP | SER | GLY | SER | ||||
| 3 | ALA | GLY | LEU | GLY | VAL | SER | VAL | LYS | GLY | ASN | ||||
| 4 | ARG | SER | LYS | GLU | ASN | HIS | ALA | ASP | LEU | GLY | ||||
| 5 | ILE | PHE | VAL | LYS | SER | ILE | ILE | ASN | GLY | GLY | ||||
| 6 | ALA | ALA | SER | LYS | ASP | GLY | ARG | LEU | ARG | VAL | ||||
| 7 | ASN | ASP | GLN | LEU | ILE | ALA | VAL | ASN | GLY | GLU | ||||
| 8 | SER | LEU | LEU | GLY | LYS | ALA | ASN | GLN | GLU | ALA | ||||
| 9 | MET | GLU | THR | LEU | ARG | ARG | SER | MET | SER | THR | ||||
| 10 | GLU | GLY | ASN | LYS | ARG | GLY | MET | ILE | GLN | LEU | ||||
| 11 | ILE | VAL | ALA | ARG | ARG | ILE | SER | ARG | CYS | ASN | ||||
| 12 | GLU |
Entity 2, MmVE-Cadherin 16 residues - 1821.067 Da.
| 1 | MET | LEU | ALA | GLU | LEU | TYR | GLY | SER | ASP | PRO | ||||
| 2 | GLN | GLU | GLU | LEU | ILE | ILE |
Samples:
sample_1: MmPar3 PDZ3, [U-100% 13C; U-100% 15N], 1 mM; MmVE-Cadherin 2 mM; sodium phosphate 20 mM; sodium chloride 50 mM; D2O 10%; sodium azide 0.02%; H2O 90%
sample_2: MmVE-Cadherin, [U-100% 13C; U-100% 15N], 1 mM; MmPar3 PDZ3 1 mM; sodium phosphate 20 mM; sodium chloride 50 mM; D2O 10%; sodium chloride 0.02%; H2O 90%
sample_conditions_1: ionic strength: 53 mM; pH: 6.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D_15N-separated_NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D_13C-separated_NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D_13C-separated_NOESY (AROMATIC) | sample_1 | isotropic | sample_conditions_1 |
| 3D_15N-separated_NOESY | sample_2 | isotropic | sample_conditions_1 |
| 3D_13C-separated_NOESY | sample_2 | isotropic | sample_conditions_1 |
| 3D_13C-separated_NOESY (AROMATIC) | sample_2 | isotropic | sample_conditions_1 |
| 3D_13C-F1-filtered_13C-F3-separated_NOESY | sample_2 | isotropic | sample_conditions_1 |
| 3D_13C-F1-filtered_13C-F3-separated_NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
X-PLOR NIH v2.9.3, SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. - refinement
TOPSPIN v2.1, Bruker - collection
NMRPipe v2007, Delagio,F. et al. - processing
XEASY v1.3, Eccles, C., Guntert, P., Billeter, M., Wuthrich, K. - data analysis
GARANT v2.1, C. Bartels - data analysis
CYANA v2.1, Guntert, P. - structural calculation
NMR spectrometers:
- Bruker Avance II 600 MHz
Related Database Links:
| PDB | |
| REF | XP_009513481 XP_009571943 NP_001100877 NP_033998 XP_006530693 |
| DBJ | BAA22617 BAE39672 |
| EMBL | CAA58782 |
| GB | AAH54790 EDL11198 EDL87251 |
| PRF | 2208309A |
| SP | P55284 |
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