BMRB Entry 17806
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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/BMR17806
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: Serrano, Pedro; Geralt, Michael; Mohanty, Biswaranjan; Wuthrich, Kurt. "NMR structure of the calcium-bound form of the protein YP_001302112.1 from Parabacteroides distasonis" .
Assembly members:
entity, polymer, 129 residues, 13807.372 Da.
CA, non-polymer, 40.078 Da.
Natural source: Common Name: Parabacteroides distasonis Taxonomy ID: 823 Superkingdom: Bacteria Kingdom: not available Genus/species: Parabacteroides distasonis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pSpeedET
Entity Sequences (FASTA):
entity: KDDDEPGGKGAMYEVTIEQS
GDFRSFIKSVVVVANGTQLK
DGATGESLASPVILSDEELA
VEKVTLSTTGKAIEFAVSGG
VVDGEDGVVNEPMQWVVTVY
KNGKEIEKKSLVFRDGKEIS
TDDLNLYYN
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 532 |
| 15N chemical shifts | 134 |
| 1H chemical shifts | 852 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | YP_001302112.1 | 1 |
| 2 | Calcium ions | 2 |
Entities:
Entity 1, YP_001302112.1 129 residues - 13807.372 Da.
| 1 | LYS | ASP | ASP | ASP | GLU | PRO | GLY | GLY | LYS | GLY | ||||
| 2 | ALA | MET | TYR | GLU | VAL | THR | ILE | GLU | GLN | SER | ||||
| 3 | GLY | ASP | PHE | ARG | SER | PHE | ILE | LYS | SER | VAL | ||||
| 4 | VAL | VAL | VAL | ALA | ASN | GLY | THR | GLN | LEU | LYS | ||||
| 5 | ASP | GLY | ALA | THR | GLY | GLU | SER | LEU | ALA | SER | ||||
| 6 | PRO | VAL | ILE | LEU | SER | ASP | GLU | GLU | LEU | ALA | ||||
| 7 | VAL | GLU | LYS | VAL | THR | LEU | SER | THR | THR | GLY | ||||
| 8 | LYS | ALA | ILE | GLU | PHE | ALA | VAL | SER | GLY | GLY | ||||
| 9 | VAL | VAL | ASP | GLY | GLU | ASP | GLY | VAL | VAL | ASN | ||||
| 10 | GLU | PRO | MET | GLN | TRP | VAL | VAL | THR | VAL | TYR | ||||
| 11 | LYS | ASN | GLY | LYS | GLU | ILE | GLU | LYS | LYS | SER | ||||
| 12 | LEU | VAL | PHE | ARG | ASP | GLY | LYS | GLU | ILE | SER | ||||
| 13 | THR | ASP | ASP | LEU | ASN | LEU | TYR | TYR | ASN |
Entity 2, Calcium ions - Ca - 40.078 Da.
| 1 | CA |
Samples:
sample_1: YP_001302112.1, [U-98% 13C; U-98% 15N], 1.2 mM; calcium chloride 10 mM; sodium chloride 25 mM; sodium phosphate 20 mM; sodium azide 5 mM; H2O 95%; D2O 5%
sample_conditions_1: ionic strength: 0.145 M; pH: 6.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
| 5D APSY CBCACONH | sample_1 | isotropic | sample_conditions_1 |
| 4D APSY HACANH | sample_1 | isotropic | sample_conditions_1 |
| 5D APSY HACACONH | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA, G ntert P. - refinement
Opalp, Luginbuhl, Guntert, Billeter and Wuthrich - refinement
TOPSPIN, Bruker Biospin - collection, data analysis, processing
CARA, Keller and Wuthrich - chemical shift assignment, data analysis
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 800 MHz
Related Database Links:
| BMRB | 17799 |
| PDB | |
| EMBL | CUP04873 CUP86285 CUQ25107 |
| GB | AAO45318 ABR42490 EFG18115 EFK63750 EIY16653 |
| REF | NP_818973 WP_005842168 WP_007659490 WP_032583709 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks