BMRB Entry 17104
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17104
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Title: YP_001336205.1
Deposition date: 2010-08-05 Original release date: 2010-08-18
Authors: Wahab, Atia-tul; Serrano, Pedro; Geralt, Michael; Wilson, Ian; Wuthrich, Kurt
Citation: Wahab, Atia-tul; Serrano, Pedro; Geralt, Michael; Wuthrich, Kurt. "NMR structure of the Klebsiella pneumoniae protein YP_001336205" Not known ., .-..
Assembly members:
YP_001336205.1, polymer, 83 residues, 9498.662 Da.
Natural source: Common Name: enterobacteria Taxonomy ID: 573 Superkingdom: bacteria Kingdom: not available Genus/species: Klebsiella pneumoniae
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
YP_001336205.1: GAAGIDQYALKEFTADFTQF
HIGDTVPAMYLTPEYNIKQW
QQRNLPAPDAGSHWTYMGGN
YVLITDTEGKILKVYDGEIF
YHR
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 299 |
| 15N chemical shifts | 87 |
| 1H chemical shifts | 575 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | YP_001336205.1 | 1 |
Entities:
Entity 1, YP_001336205.1 83 residues - 9498.662 Da.
| 1 | GLY | ALA | ALA | GLY | ILE | ASP | GLN | TYR | ALA | LEU | ||||
| 2 | LYS | GLU | PHE | THR | ALA | ASP | PHE | THR | GLN | PHE | ||||
| 3 | HIS | ILE | GLY | ASP | THR | VAL | PRO | ALA | MET | TYR | ||||
| 4 | LEU | THR | PRO | GLU | TYR | ASN | ILE | LYS | GLN | TRP | ||||
| 5 | GLN | GLN | ARG | ASN | LEU | PRO | ALA | PRO | ASP | ALA | ||||
| 6 | GLY | SER | HIS | TRP | THR | TYR | MET | GLY | GLY | ASN | ||||
| 7 | TYR | VAL | LEU | ILE | THR | ASP | THR | GLU | GLY | LYS | ||||
| 8 | ILE | LEU | LYS | VAL | TYR | ASP | GLY | GLU | ILE | PHE | ||||
| 9 | TYR | HIS | ARG |
Samples:
sample_1: YP_001336205.1, [U-98% 13C; U-98% 15N], 1.4 mM; sodium phosphate buffer 20 mM; sodium chloride 50 mM; sodium azide 0.005 mM; D2O, [U-99% 2H], 5%
sample_conditions_1: ionic strength: 0.11 M; pH: 6.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 15N-1H HSQC | sample_1 | isotropic | sample_conditions_1 |
| 4D APSY-HACANH | sample_1 | isotropic | sample_conditions_1 |
| 5D APSY-HACACONH | sample_1 | isotropic | sample_conditions_1 |
| 5D APSY-CBCACONH | sample_1 | isotropic | sample_conditions_1 |
| 15N-resolved [1H,1H]-NOESY | sample_1 | isotropic | sample_conditions_1 |
| 13C(aliphatic)-resolved [1H,1H]-NOESY | sample_1 | isotropic | sample_conditions_1 |
| 13C(aromatic)-resolved [1H,1H]-NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
UNIO v2.0.0, Torsten Herrmann - chemical shift assignment, peak picking, structure calculation
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - Structure calculation
TOPSPIN v1.3, Bruker Biospin - data collection, processing
Molmol, Koradi, Billeter and Wuthrich - analysis and display of molecule
CARA v1.8.4_linux, Keller and Wuthrich - chemical shift assignment
NMR spectrometers:
- Bruker Avance 600 MHz
Related Database Links:
| PDB | |
| DBJ | BAH64351 BAS34384 |
| EMBL | CCI75772 CCM83848 CCM88948 CCM96984 CCN30640 |
| GB | ABR77975 ACI08127 ADC57433 AEJ99058 AEW62316 |
| REF | WP_002912749 WP_004201590 WP_016946916 WP_017899344 WP_025713092 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts