BMRB Entry 6091
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR6091
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Title: 1H, 13C, and 15N Chemical Shift Assignments for a complex of PDZ2 from PTP-BL with the C-terminus of p75 (NTR) PubMed: 14725761
Deposition date: 2004-02-04 Original release date: 2005-05-20
Authors: Walma, Tine; Vuister, Geerten
Citation: Walma, Tine; Aelen, J.; Nabuurs, S.; Oostendorp, M.; van den Berk, L.; Hendriks, W.; Vuister, Geerten. "A closed binding pocket and global destabilization modify the binding properties of an alternatively spliced form of the second PDZ domain of PTP-BL" Structure 12, 11-20 (2004).
Assembly members:
Second PDZ domain from PTP-BL, polymer, 102 residues, 9752.07 Da.
C-terminus from NTR, polymer, 9 residues, 877.90 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):
Second PDZ domain from PTP-BL: MHHHHHHMKPGDTFEVELAK
TDGSLGISVTGGVNTSVRHG
GIYVKAIIPKGAAESDGRIH
KGDRVLAVNGVSLEGATHKQ
AVETLRNTGQVVHLLLEKGQ
VP
C-terminus from NTR: SESTATSPV
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 519 |
| 13C chemical shifts | 93 |
| 15N chemical shifts | 97 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PDZ2 from PTP-BL | 1 |
| 2 | p75 (NTR) C-terminus | 2 |
Entities:
Entity 1, PDZ2 from PTP-BL 102 residues - 9752.07 Da.
| 1 | MET | HIS | HIS | HIS | HIS | HIS | HIS | MET | LYS | PRO | ||||
| 2 | GLY | ASP | THR | PHE | GLU | VAL | GLU | LEU | ALA | LYS | ||||
| 3 | THR | ASP | GLY | SER | LEU | GLY | ILE | SER | VAL | THR | ||||
| 4 | GLY | GLY | VAL | ASN | THR | SER | VAL | ARG | HIS | GLY | ||||
| 5 | GLY | ILE | TYR | VAL | LYS | ALA | ILE | ILE | PRO | LYS | ||||
| 6 | GLY | ALA | ALA | GLU | SER | ASP | GLY | ARG | ILE | HIS | ||||
| 7 | LYS | GLY | ASP | ARG | VAL | LEU | ALA | VAL | ASN | GLY | ||||
| 8 | VAL | SER | LEU | GLU | GLY | ALA | THR | HIS | LYS | GLN | ||||
| 9 | ALA | VAL | GLU | THR | LEU | ARG | ASN | THR | GLY | GLN | ||||
| 10 | VAL | VAL | HIS | LEU | LEU | LEU | GLU | LYS | GLY | GLN | ||||
| 11 | VAL | PRO |
Entity 2, p75 (NTR) C-terminus 9 residues - 877.90 Da.
| 1 | SER | GLU | SER | THR | ALA | THR | SER | PRO | VAL |
Samples:
sample_1: Second PDZ domain from PTP-BL, [U-13C; U-15N], 1 mM; C-terminus from NTR 3 mM; K2HPO4/KH2PO4 50 mM; KCl 50 mM
conditions_1: pH: 6.8; temperature: 298 K; ionic strength: 0.1 M; pressure: 1 atm
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCA | not available | not available | not available |
| 3D 15N NOESY HSQC | not available | not available | not available |
Software:
NMRPipe v1.8 - spectral processing
XEASY v1.2 - peak integration, assignment
XPLOR v3.851 - simulated annealing, restrained MD refinement in water
NMR spectrometers:
- Varian INOVA 600 MHz
- Varian INOVA 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts