BMRB Entry 16795
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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/BMR16795
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Title: Solution NMR of Putative excisionase from Klebsiella pneumoniae, Northeast Structural Genomics Consortium Target Target KpR49
Deposition date: 2010-03-28 Original release date: 2010-04-26
Authors: Liu, G.; Hamilton, H.; Xiao, R.; Acton, T.; Rost, B.; Montelione, G.
Citation: Liu, G.; Hamilton, H.; Xiao, R.; Acton, T.; Rost, B.; Montelione, G.. "Northeast Structural Genomics Consortium Target KpR49" To be published ., .-..
Assembly members:
KpR49, polymer, 78 residues, 9304.643 Da.
Natural source: Common Name: Klebsiella pneumoniae 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):
KpR49: MAQIIFNEEWMVEKALMVRT
GLGARQIESYRQGAWIEGVH
FKRVSPSGEKTLRGTTWYNY
PEINKFIRDSLEHHHHHH
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 251 |
| 15N chemical shifts | 77 |
| 1H chemical shifts | 522 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | KpR49 | 1 |
Entities:
Entity 1, KpR49 78 residues - 9304.643 Da.
| 1 | MET | ALA | GLN | ILE | ILE | PHE | ASN | GLU | GLU | TRP | ||||
| 2 | MET | VAL | GLU | LYS | ALA | LEU | MET | VAL | ARG | THR | ||||
| 3 | GLY | LEU | GLY | ALA | ARG | GLN | ILE | GLU | SER | TYR | ||||
| 4 | ARG | GLN | GLY | ALA | TRP | ILE | GLU | GLY | VAL | HIS | ||||
| 5 | PHE | LYS | ARG | VAL | SER | PRO | SER | GLY | GLU | LYS | ||||
| 6 | THR | LEU | ARG | GLY | THR | THR | TRP | TYR | ASN | TYR | ||||
| 7 | PRO | GLU | ILE | ASN | LYS | PHE | ILE | ARG | ASP | SER | ||||
| 8 | LEU | GLU | HIS | HIS | HIS | HIS | HIS | HIS |
Samples:
sample_NC: KpR49, [U-100% 13C; U-100% 15N], 0.7 mM
sample_nc5: KpR49, [U-10% 13C; U-100% 15N], 0.8 mM
sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_NC | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_nc5 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_NC | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_NC | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_NC | isotropic | sample_conditions_1 |
| 3D 1H-13C arom NOESY | sample_NC | isotropic | sample_conditions_1 |
| 3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY | sample_NC | isotropic | sample_conditions_1 |
Software:
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinemen,structure solution,geometry optimization
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - refinement,geometry optimization,structure solution
AutoStruct v2.1, Huang, Tejero, Powers and Montelione - data analysis,refinement
AutoAssign v2.1, Zimmerman, Moseley, Kulikowski and Montelione - data analysis,chemical shift assignment
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
XEASY, Bartels et al. - data analysis,peak picking,chemical shift assignment
TOPSPIN, Bruker Biospin - collection
VNMRJ, Varian - collection
NMR spectrometers:
- Bruker Avance 800 MHz
- Varian INOVA 600 MHz
Related Database Links:
| PDB | |
| EMBL | CEL82146 CEL85567 CEP30669 CTQ13220 CTQ20086 |
| GB | ABR76809 ALD08109 ALD56363 EKB75770 ESA97574 |
| REF | WP_004179593 WP_023159475 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts