BMRB Entry 5947
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5947
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Anderson, Kirstine; Cota, Ernesto; Simpson, Peter; Chen, Ho An; du Merle, Laurence; Le Bouguenec, Chantal; Matthews, Stephen. "Letter to the Editor: Complete resonance assignments of a 'donor strand complemented'
AfaE: The afimbrial adhesin from Diffusely Adherent E. coli" J. Biomol. NMR 29, 409-410 (2004).
PubMed: 15213443
Assembly members:
donor strand complemented AfaE-III, polymer, 156 residues, 16932.7 Da.
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Eubacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pRSETA
Entity Sequences (FASTA):
donor strand complemented AfaE-III: HHHHHHGLVPRGSEECQVRV
GDLTVAKTRGQLTDAAPIGP
VTVQALGCNARQVALKADTD
NFEQGKFFLISDNNRDKLYV
NIRPMDNSAWTTDNGVFYKN
DVGSWGGTIGIYVDGQQTNT
PPGNYTLTLTGGYWAKDNKQ
GFTPSGTTGTTKLTVT
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 576 |
| 15N chemical shifts | 146 |
| 1H chemical shifts | 843 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | AfaE-dsc | 1 |
Entities:
Entity 1, AfaE-dsc 156 residues - 16932.7 Da.
| 1 | HIS | HIS | HIS | HIS | HIS | HIS | GLY | LEU | VAL | PRO | ||||
| 2 | ARG | GLY | SER | GLU | GLU | CYS | GLN | VAL | ARG | VAL | ||||
| 3 | GLY | ASP | LEU | THR | VAL | ALA | LYS | THR | ARG | GLY | ||||
| 4 | GLN | LEU | THR | ASP | ALA | ALA | PRO | ILE | GLY | PRO | ||||
| 5 | VAL | THR | VAL | GLN | ALA | LEU | GLY | CYS | ASN | ALA | ||||
| 6 | ARG | GLN | VAL | ALA | LEU | LYS | ALA | ASP | THR | ASP | ||||
| 7 | ASN | PHE | GLU | GLN | GLY | LYS | PHE | PHE | LEU | ILE | ||||
| 8 | SER | ASP | ASN | ASN | ARG | ASP | LYS | LEU | TYR | VAL | ||||
| 9 | ASN | ILE | ARG | PRO | MET | ASP | ASN | SER | ALA | TRP | ||||
| 10 | THR | THR | ASP | ASN | GLY | VAL | PHE | TYR | LYS | ASN | ||||
| 11 | ASP | VAL | GLY | SER | TRP | GLY | GLY | THR | ILE | GLY | ||||
| 12 | ILE | TYR | VAL | ASP | GLY | GLN | GLN | THR | ASN | THR | ||||
| 13 | PRO | PRO | GLY | ASN | TYR | THR | LEU | THR | LEU | THR | ||||
| 14 | GLY | GLY | TYR | TRP | ALA | LYS | ASP | ASN | LYS | GLN | ||||
| 15 | GLY | PHE | THR | PRO | SER | GLY | THR | THR | GLY | THR | ||||
| 16 | THR | LYS | LEU | THR | VAL | THR |
Samples:
sample_1: donor strand complemented AfaE-III, [U-95% 13C; U-95% 15N], 0.8 mM; acetate buffer 50 mM; sodium chloride 100 mM
conditions_1: pH: 5; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| HNCACB | not available | not available | not available |
| CBCA(CO)NH | not available | not available | not available |
| HNCO | not available | not available | not available |
| HN(CA)CO | not available | not available | not available |
| HBHA | not available | not available | not available |
| (H)CC(CO)NH TOCSY | not available | not available | not available |
| H(CCCO)NH TOCSY | not available | not available | not available |
| HCCH TOCSY | not available | not available | not available |
| 1H-13C NOESY | not available | not available | not available |
| 1H-15N/13C simultanious NOESY | not available | not available | not available |
Software:
ARIA v1.2 - automated NOE assignments, structure calulation
NMR spectrometers:
- Bruker DMX 500 MHz
- Varian Inova 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks