BMRB Entry 17597
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17597
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Title: Chemical shift assignments for Rv0577, a putative glyoxylase associated with virulence from Mycobacterium tuberculosis. Seattle Structural Genomics Center for Infectious Disease (SSGCID) target MytuD.17269.a. PubMed: 21761124
Deposition date: 2011-04-21 Original release date: 2011-05-19
Authors: Buchko, Garry
Citation: Buchko, Garry; Kim, Heungbok; Myler, Peter; Terwilliger, Thomas; Kim, Chang-Yub. "Chemical shift assignments for Rv0577, a putative glyoxylase associated with virulence from Mycobacterium tuberculosis." Biomol. NMR Assignments 6, 43-46 (2012).
Assembly members:
Rv0577, polymer, 269 residues, Formula weight is not available
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
Entity Sequences (FASTA):
Rv0577: MPKRSEYRQGTPNWVDLQTT
DQSAAKKFYTSLFGWGYDDN
PVPGGGGVYSMATLNGEAVA
AIAPMPPGAPEGMPPIWNTY
IAVDDVDAVVDKVVPGGGQV
MMPAFDIGDAGRMSFITDPT
GAAVGLWQANRHIGATLVNE
TGTLIWNELLTDKPDLALAF
YEAVVGLTHSSMEIAAGQNY
RVLKAGDAEVGGCMEPPMPG
VPNHWHVYFAVDDADATAAK
AAAAGGQVIAEPADIPSVGR
FAVLSDPQGAIFSVLKPAPQ
QRSHHHHHH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 772 |
| 15N chemical shifts | 221 |
| 1H chemical shifts | 758 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Rv0577 | 1 |
Entities:
Entity 1, Rv0577 269 residues - Formula weight is not available
| 1 | MET | PRO | LYS | ARG | SER | GLU | TYR | ARG | GLN | GLY | ||||
| 2 | THR | PRO | ASN | TRP | VAL | ASP | LEU | GLN | THR | THR | ||||
| 3 | ASP | GLN | SER | ALA | ALA | LYS | LYS | PHE | TYR | THR | ||||
| 4 | SER | LEU | PHE | GLY | TRP | GLY | TYR | ASP | ASP | ASN | ||||
| 5 | PRO | VAL | PRO | GLY | GLY | GLY | GLY | VAL | TYR | SER | ||||
| 6 | MET | ALA | THR | LEU | ASN | GLY | GLU | ALA | VAL | ALA | ||||
| 7 | ALA | ILE | ALA | PRO | MET | PRO | PRO | GLY | ALA | PRO | ||||
| 8 | GLU | GLY | MET | PRO | PRO | ILE | TRP | ASN | THR | TYR | ||||
| 9 | ILE | ALA | VAL | ASP | ASP | VAL | ASP | ALA | VAL | VAL | ||||
| 10 | ASP | LYS | VAL | VAL | PRO | GLY | GLY | GLY | GLN | VAL | ||||
| 11 | MET | MET | PRO | ALA | PHE | ASP | ILE | GLY | ASP | ALA | ||||
| 12 | GLY | ARG | MET | SER | PHE | ILE | THR | ASP | PRO | THR | ||||
| 13 | GLY | ALA | ALA | VAL | GLY | LEU | TRP | GLN | ALA | ASN | ||||
| 14 | ARG | HIS | ILE | GLY | ALA | THR | LEU | VAL | ASN | GLU | ||||
| 15 | THR | GLY | THR | LEU | ILE | TRP | ASN | GLU | LEU | LEU | ||||
| 16 | THR | ASP | LYS | PRO | ASP | LEU | ALA | LEU | ALA | PHE | ||||
| 17 | TYR | GLU | ALA | VAL | VAL | GLY | LEU | THR | HIS | SER | ||||
| 18 | SER | MET | GLU | ILE | ALA | ALA | GLY | GLN | ASN | TYR | ||||
| 19 | ARG | VAL | LEU | LYS | ALA | GLY | ASP | ALA | GLU | VAL | ||||
| 20 | GLY | GLY | CYS | MET | GLU | PRO | PRO | MET | PRO | GLY | ||||
| 21 | VAL | PRO | ASN | HIS | TRP | HIS | VAL | TYR | PHE | ALA | ||||
| 22 | VAL | ASP | ASP | ALA | ASP | ALA | THR | ALA | ALA | LYS | ||||
| 23 | ALA | ALA | ALA | ALA | GLY | GLY | GLN | VAL | ILE | ALA | ||||
| 24 | GLU | PRO | ALA | ASP | ILE | PRO | SER | VAL | GLY | ARG | ||||
| 25 | PHE | ALA | VAL | LEU | SER | ASP | PRO | GLN | GLY | ALA | ||||
| 26 | ILE | PHE | SER | VAL | LEU | LYS | PRO | ALA | PRO | GLN | ||||
| 27 | GLN | ARG | SER | HIS | HIS | HIS | HIS | HIS | HIS |
Samples:
sample_1: Rv0577, [U-99% 13C; U-99% 15N], 1.5 ± 0.2 mM; sodium chloride 100 ± 5 mM; TRIS 20 ± 2 mM; DTT 1 ± 0.2 mM; H2O 93%; D2O 7%
sample_conditions_1: ionic strength: 0.1 M; pH: 7.1; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 2D HBCBCGCDHD | sample_1 | isotropic | sample_conditions_1 |
| 2D HBCBCGCDCHE | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
SPARKY v3.115, Goddard - data analysis
FELIX v2007, Accelrys Software Inc. - processing
NMR spectrometers:
- Varian INOVA 600 MHz
- Varian INOVA 750 MHz
Related Database Links:
| PDB | |
| DBJ | BAH24886 BAL64448 BAQ04462 GAA44359 |
| EMBL | CAA07636 CAL70607 CCC25656 CCC63181 CCE36117 |
| GB | AAK44829 ABQ72307 ABR04930 ACJ14499 ACJ14500 |
| REF | NP_215091 NP_854252 WP_003403012 WP_015287862 WP_015292278 |
| SP | P0A5N9 P9WIR2 P9WIR3 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts