BMRB Entry 19664
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PDB ID: 2ndo
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19664
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
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Citation: Mohanty, Biswaranjan; Williams, Martin; Mohanty, Biswaranjan; Williams, Martin. "Structure of EcDsbA-sulfonamide complex" .
Assembly members:
EcDsbA, polymer, 188 residues, 21026.014 Da.
2-{[(4-iodophenyl)sulfonyl]amino}benzoic acid, non-polymer, 403.192 Da.
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-21
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 106 |
| 1H chemical shifts | 315 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | EcDsbA | 1 |
| 2 | sulfonamide | 2 |
Entities:
Entity 1, EcDsbA 188 residues - 21026.014 Da.
| 1 | ALA | GLN | TYR | GLU | ASP | GLY | LYS | GLN | TYR | THR | ||||
| 2 | THR | LEU | GLU | LYS | PRO | VAL | ALA | GLY | ALA | PRO | ||||
| 3 | GLN | VAL | LEU | GLU | PHE | PHE | SER | PHE | PHE | CYS | ||||
| 4 | PRO | HIS | CYS | TYR | GLN | PHE | GLU | GLU | VAL | LEU | ||||
| 5 | HIS | ILE | SER | ASP | ASN | VAL | LYS | LYS | LYS | LEU | ||||
| 6 | PRO | GLU | GLY | VAL | LYS | MET | THR | LYS | TYR | HIS | ||||
| 7 | VAL | ASN | PHE | MET | GLY | GLY | ASP | LEU | GLY | LYS | ||||
| 8 | ASP | LEU | THR | GLN | ALA | TRP | ALA | VAL | ALA | MET | ||||
| 9 | ALA | LEU | GLY | VAL | GLU | ASP | LYS | VAL | THR | VAL | ||||
| 10 | PRO | LEU | PHE | GLU | GLY | VAL | GLN | LYS | THR | GLN | ||||
| 11 | THR | ILE | ARG | SER | ALA | SER | ASP | ILE | ARG | ASP | ||||
| 12 | VAL | PHE | ILE | ASN | ALA | GLY | ILE | LYS | GLY | GLU | ||||
| 13 | GLU | TYR | ASP | ALA | ALA | TRP | ASN | SER | PHE | VAL | ||||
| 14 | VAL | LYS | SER | LEU | VAL | ALA | GLN | GLN | GLU | LYS | ||||
| 15 | ALA | ALA | ALA | ASP | VAL | GLN | LEU | ARG | GLY | VAL | ||||
| 16 | PRO | ALA | MET | PHE | VAL | ASN | GLY | LYS | TYR | GLN | ||||
| 17 | LEU | ASN | PRO | GLN | GLY | MET | ASP | THR | SER | ASN | ||||
| 18 | MET | ASP | VAL | PHE | VAL | GLN | GLN | TYR | ALA | ASP | ||||
| 19 | THR | VAL | LYS | TYR | LEU | SER | GLU | LYS |
Entity 2, sulfonamide - 403.192 Da.
| 1 | SFQ |