BMRB Entry 15209
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR15209
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Title: Structure of the hDLG/SAP97 PDZ2 in complex with HPV-18 papillomavirus E6 peptide
Deposition date: 2007-04-10 Original release date: 2007-10-24
Authors: Liu, Y.; Baleja, J.; Henry, G.; Hegde, R.
Citation: Liu, Y.; Henry, G.; Hegde, R.; Baleja, J.. "Solution Structure of the hDLG/SAP97 PDZ2 domain and its mechanism for interaction with HPV-18 papillomavirus E6 protein" Biochemistry 46, 10864-10874 (2007).
Assembly members:
Disks_large_homolog_1, polymer, 97 residues, Formula weight is not available
C-terminal_HPV-18_E6_peptide, polymer, 6 residues, Formula weight is not available
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):
Disks_large_homolog_1: MEIKLIKGPKGLGFSIAGGV
GNQHIPGDNSIYVTKIIEGG
AAHKDGKLQIGDKLLAVNNV
CLEEVTHEEAVTALKNTSDF
VYLKVAKPTGSHHHHHH
C-terminal_HPV-18_E6_peptide: RRETQV
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 332 |
| 15N chemical shifts | 93 |
| 1H chemical shifts | 662 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | hDlg PDZ2 domain | 1 |
| 2 | E6CT | 2 |
Entities:
Entity 1, hDlg PDZ2 domain 97 residues - Formula weight is not available
| 1 | MET | GLU | ILE | LYS | LEU | ILE | LYS | GLY | PRO | LYS | ||||
| 2 | GLY | LEU | GLY | PHE | SER | ILE | ALA | GLY | GLY | VAL | ||||
| 3 | GLY | ASN | GLN | HIS | ILE | PRO | GLY | ASP | ASN | SER | ||||
| 4 | ILE | TYR | VAL | THR | LYS | ILE | ILE | GLU | GLY | GLY | ||||
| 5 | ALA | ALA | HIS | LYS | ASP | GLY | LYS | LEU | GLN | ILE | ||||
| 6 | GLY | ASP | LYS | LEU | LEU | ALA | VAL | ASN | ASN | VAL | ||||
| 7 | CYS | LEU | GLU | GLU | VAL | THR | HIS | GLU | GLU | ALA | ||||
| 8 | VAL | THR | ALA | LEU | LYS | ASN | THR | SER | ASP | PHE | ||||
| 9 | VAL | TYR | LEU | LYS | VAL | ALA | LYS | PRO | THR | GLY | ||||
| 10 | SER | HIS | HIS | HIS | HIS | HIS | HIS |
Entity 2, E6CT 6 residues - Formula weight is not available
| 1 | ARG | ARG | GLU | THR | GLN | VAL |
Samples:
sample_1: Disks large homolog 1 2 mM; C-terminal HPV-18 E6 peptide 3 mM; TCEP 4 mM; DSS 20 uM; phosphate buffer 20 mM
sample_2: Disks large homolog 1, [U-100% 15N], 2 mM; C-terminal HPV-18 E6 peptide 3 mM; TCEP 4 mM; DSS 20 uM; phosphate buffer 20 mM
sample_3: Disks large homolog 1, [U-100% 13C; U-100% 15N], 2 mM; C-terminal HPV-18 E6 peptide 3 mM; TCEP 4 mM; DSS 20 uM; phosphate buffer 20 mM
sample_4: Disks large homolog 1, [U-100% 13C; U-100% 15N], 2 mM; C-terminal HPV-18 E6 peptide 3 mM; TCEP 4 mM; DSS 20 uM; phosphate buffer 20 mM
sample_5: Disks large homolog 1, [U-100% 15N], 2 mM; C-terminal HPV-18 E6 peptide 3 mM; C8E5 5%; n-octanol 5.75%; TCEP 4 mM; DSS 20 uM; phosphate buffer 20 mM
sample_6: Disks large homolog 1, [U-100% 15N], 2 mM; C-terminal HPV-18 E6 peptide 3 mM; Pf1 phage 10 mg/mL; TCEP 4 mM; DSS 20 uM; phosphate buffer 20 mM
sample_conditions_1: ionic strength: 28.2 mM; pH: 6.5; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D_15N-separated_NOESY | sample_3 | isotropic | sample_conditions_1 |
| HCCH-TOCSY | sample_3 | isotropic | sample_conditions_1 |
| HNCACB | sample_3 | isotropic | sample_conditions_1 |
| CBCACONH | sample_3 | isotropic | sample_conditions_1 |
| HBHA(CO)NH | sample_3 | isotropic | sample_conditions_1 |
| CT-13C/1H-HSQC | sample_4 | isotropic | sample_conditions_1 |
| HSQC-DSSE (IPAP) for HN RDC | sample_5 | isotropic | sample_conditions_1 |
| HSQC-DSSE (IPAP) for HN RDC | sample_6 | isotropic | sample_conditions_1 |
Software:
xwinnmr v3.5, Bruker Biospin - collection
SPARKY v3.112, T. D. Goddard and D. G. Kneller - data analysis
CNS v1.1, Brunger - structure solution
NMR spectrometers:
- Bruker Avance DRX 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts