BMRB Entry 16774
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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/BMR16774
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Title: Solution structure of the Mycobacterium tuberculosis protein Rv0543c, a member of the DUF3349 superfamily. Seattle Structural Genomics Center for Infectious Disease (SSGCID) target MytuD.17112.a PubMed: 21144816
Deposition date: 2010-03-12 Original release date: 2010-03-22
Authors: Buchko, Garry; Kim, Chang; Thomas, Terwilliger
Citation: Buchko, Garry; Phan, Isabelle; Myler, Peter; Terwilliger, Thomas; Kim, Chang-Yub. "Inaugural structure from the DUF3349 superfamily of proteins, Mycobacterium tuberculosis Rv0543c." Arch. Biochem. Biophys. 506, 150-156 (2011).
Assembly members:
Rv0543c, polymer, 103 residues, Formula weight is not available
Natural source: Common Name: Mycobacterium tuberculosis Taxonomy ID: 1773 Superkingdom: Bacteria Kingdom: not available Genus/species: Mycobacterium tuberculosis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Rv0543c: GSHMNRFLTSIVAWLRAGYP
EGIPPTDSFAVLALLCRRLS
HDEVKAVANELMRLGDFDQI
DIGVVITHFTDELPSPEDVE
RVRARLAAQGWPLDDVRDRE
EHA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 418 |
| 15N chemical shifts | 94 |
| 1H chemical shifts | 671 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Rv0543c | 1 |
Entities:
Entity 1, Rv0543c 103 residues - Formula weight is not available
Residues 1-3 are non-natural residues that remain after cleavage of an affinity tag.
| 1 | GLY | SER | HIS | MET | ASN | ARG | PHE | LEU | THR | SER | ||||
| 2 | ILE | VAL | ALA | TRP | LEU | ARG | ALA | GLY | TYR | PRO | ||||
| 3 | GLU | GLY | ILE | PRO | PRO | THR | ASP | SER | PHE | ALA | ||||
| 4 | VAL | LEU | ALA | LEU | LEU | CYS | ARG | ARG | LEU | SER | ||||
| 5 | HIS | ASP | GLU | VAL | LYS | ALA | VAL | ALA | ASN | GLU | ||||
| 6 | LEU | MET | ARG | LEU | GLY | ASP | PHE | ASP | GLN | ILE | ||||
| 7 | ASP | ILE | GLY | VAL | VAL | ILE | THR | HIS | PHE | THR | ||||
| 8 | ASP | GLU | LEU | PRO | SER | PRO | GLU | ASP | VAL | GLU | ||||
| 9 | ARG | VAL | ARG | ALA | ARG | LEU | ALA | ALA | GLN | GLY | ||||
| 10 | TRP | PRO | LEU | ASP | ASP | VAL | ARG | ASP | ARG | GLU | ||||
| 11 | GLU | HIS | ALA |
Samples:
sample_1: Rv0543c 1-2 ± 0.2 mM; sodium chloride 300 ± 10 mM; TRIS 20 ± 2 mM; DTT 1 ± 0.2 mM
sample_2: Rv0543c 1-2 ± 0.2 mM; sodium chloride 300 ± 10 mM; TRIS 20 ± 2 mM; DTT 1 ± 0.2 mM
sample_conditions_1: ionic strength: 300 mM; pH: 7.0; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(COCA)CB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_2 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
FELIX v2007, Accelrys Software Inc. - processing
SPARKY v3.115, Goddard - data analysis
PSVS v1.1, Bhattacharya and Montelione - data analysis
CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
NMR spectrometers:
- Varian INOVA 600 MHz
- Varian INOVA 750 MHz
- Varian UnityPlus 500 MHz
Related Database Links:
| PDB | |
| DBJ | BAH24852 BAL64411 BAQ04425 GAA44326 |
| EMBL | CAL70572 CCC25622 CCC42886 CCC63147 CCE36083 |
| GB | ABQ72273 ABR04897 ACT23581 AEB02684 AEJ45701 |
| REF | NP_215057 NP_854218 WP_003402896 WP_003909241 WP_024456652 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts