BMRB Entry 18812
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18812
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Title: Solution structure of a DUF3349 annotated protein from Mycobacterium abscessus, MAB_3403c. Seattle Structural Genomics Center for Infectious Disease target Myab.17112.a
Deposition date: 2012-10-30 Original release date: 2012-11-30
Authors: Buchko, Garry
Citation: Buchko, Garry; Hewitt, Stephen; Van Voorhis, Wesley; Myler, Peter. "Evidence for further structural diversity in the DUF3349 family" Not known ., .-..
Assembly members:
entity, polymer, 112 residues, 13880.615 Da.
Natural source: Common Name: Mycobacterium abscessus Taxonomy ID: 36809 Superkingdom: Bacteria Kingdom: not available Genus/species: Mycobacterium abscessus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: MAHHHHHHMGTLEAQTQGPG
SPEGVPPTDRFPLLALLRRT
LTEEQVQEVVAKLTDPESSA
QIDGVVSKDEIEKFIADVTK
DEPTAQDISRVASRLAAGGW
PLAGVDSTALNA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 376 |
| 15N chemical shifts | 96 |
| 1H chemical shifts | 593 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | DUF3349 | 1 |
Entities:
Entity 1, DUF3349 112 residues - 13880.615 Da.
| 1 | MET | ALA | HIS | HIS | HIS | HIS | HIS | HIS | MET | GLY | ||||
| 2 | THR | LEU | GLU | ALA | GLN | THR | GLN | GLY | PRO | GLY | ||||
| 3 | SER | PRO | GLU | GLY | VAL | PRO | PRO | THR | ASP | ARG | ||||
| 4 | PHE | PRO | LEU | LEU | ALA | LEU | LEU | ARG | ARG | THR | ||||
| 5 | LEU | THR | GLU | GLU | GLN | VAL | GLN | GLU | VAL | VAL | ||||
| 6 | ALA | LYS | LEU | THR | ASP | PRO | GLU | SER | SER | ALA | ||||
| 7 | GLN | ILE | ASP | GLY | VAL | VAL | SER | LYS | ASP | GLU | ||||
| 8 | ILE | GLU | LYS | PHE | ILE | ALA | ASP | VAL | THR | LYS | ||||
| 9 | ASP | GLU | PRO | THR | ALA | GLN | ASP | ILE | SER | ARG | ||||
| 10 | VAL | ALA | SER | ARG | LEU | ALA | ALA | GLY | GLY | TRP | ||||
| 11 | PRO | LEU | ALA | GLY | VAL | ASP | SER | THR | ALA | LEU | ||||
| 12 | ASN | ALA |
Samples:
sample_1: entity, [U-99% 13C; U-99% 15N], 1.0 ± 0.2 mM; sodium chloride 100 ± 2 mM; TRIS 20 ± 1 mM; DTT 1 ± 0.1 mM
sample_2: entity, [U-99% 13C; U-99% 15N], 1.0 ± 0.2 mM; sodium chloride 100 ± 2 mM; TRIS 20 ± 1 mM; DTT 1 ± 0.1 mM
sample_conditions_1: ionic strength: 0.12 M; 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 C(CO)NH | 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 HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
| 2D HBCBCGCDCDHD | sample_1 | isotropic | sample_conditions_1 |
| 2D HBCBCGCDCEHE | sample_1 | isotropic | sample_conditions_1 |
| deuterium exchange | sample_2 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - water refinement
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
SPARKY v3.115, Goddard - data analysis, peak picking
FELIX v2007, Accelrys Software Inc. - processing
PSVS v1.3, Bhattacharya and Montelione - data analysis
TALOS v+, Cornilescu, Delaglio and Bax - data analysis
NMR spectrometers:
- Varian INOVA 600 MHz
- Varian INOVA 750 MHz
- Varian INOVA 800 MHz
Related Database Links:
| PDB | |
| EMBL | CAM63479 CPR31135 CPR39159 CPR58306 CPR58317 |
| GB | AIC71658 AIR34563 AIR39442 AIR42370 AIV12161 |
| REF | WP_005056636 WP_005077192 WP_052523625 YP_001704133 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts