BMRB Entry 19867
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR19867
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Title: Structure of M. tuberculosis CrgA membrane protein in lipid bilayer
Deposition date: 2014-03-18 Original release date: 2014-12-15
Authors: Das, Nabanita; Dai, Jian; Hung, Ivan; Rajagopalan, Malini; Zhou, Huan-Xiang; Cross, Timothy
Citation: Das, Nabanita; Dai, Jian; Hung, Ivan; Rajagopalan, Malini; Zhou, Huan-Xiang; Cross, Timothy. "Transmembrane structural characterization of CrgA, a cell division regulatory protein from M. tuberculosis in lipid bilayers" Proc. Natl. Acad. Sci. ., .-..
Assembly members:
entity, polymer, 101 residues, 5876.252 Da.
Natural source: Common Name: Mycobacterium tuberculosis Taxonomy ID: 83332 Superkingdom: Bacteria Kingdom: not available Genus/species: Mycobacterium tuberculosis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: MPKSKVRKKNDFTVSAVSRT
PMKVKVGPSSVWFVSLFIGL
MLIGLIWLMVFQLAAIGSQA
PTALNWMAQLGPWNYAIAFA
FMITGLLLTMRWHLEHHHHH
H
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 60 |
| 13C chemical shifts | 66 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | M. tuberculosis CrgA membrane protein | 1 |
Entities:
Entity 1, M. tuberculosis CrgA membrane protein 101 residues - 5876.252 Da.
| 1 | MET | PRO | LYS | SER | LYS | VAL | ARG | LYS | LYS | ASN | ||||
| 2 | ASP | PHE | THR | VAL | SER | ALA | VAL | SER | ARG | THR | ||||
| 3 | PRO | MET | LYS | VAL | LYS | VAL | GLY | PRO | SER | SER | ||||
| 4 | VAL | TRP | PHE | VAL | SER | LEU | PHE | ILE | GLY | LEU | ||||
| 5 | MET | LEU | ILE | GLY | LEU | ILE | TRP | LEU | MET | VAL | ||||
| 6 | PHE | GLN | LEU | ALA | ALA | ILE | GLY | SER | GLN | ALA | ||||
| 7 | PRO | THR | ALA | LEU | ASN | TRP | MET | ALA | GLN | LEU | ||||
| 8 | GLY | PRO | TRP | ASN | TYR | ALA | ILE | ALA | PHE | ALA | ||||
| 9 | PHE | MET | ILE | THR | GLY | LEU | LEU | LEU | THR | MET | ||||
| 10 | ARG | TRP | HIS | LEU | GLU | HIS | HIS | HIS | HIS | HIS | ||||
| 11 | HIS |
Samples:
sample_1: CrgA, [U-100% 13C; U-100% 15N], 2.0 g/L; CrgA, [U-15N]-Leu, 200 mg/L; CrgA, [U-15N]-Ala, 200 mg/L; CrgA, [U-15N]-Val, 200 mg/L; CrgA, [U-15N]-Ile, 200 mg/L; CrgA, [U-15N]-Trp, 200 mg/L; CrgA, [U-15N]-Tyr, 200 mg/L; CrgA, [U-15N]-Met, 200 mg/L; CrgA, [U-15N]-Phe, 200 mg/L; CrgA, [U-15N]-Thr, 200 mg/L; CrgA, [U-15N]-Gly, 200 mg/L; CrgA, [U-15N]-Ser, 200 mg/L; CrgA, [U-15N]-Arg, 200 mg/L; CrgA, [U-15N]-Asn, 200 mg/L
sample_2: CrgA uniform label, [U-100% 13C; U-100% 15N], 2.0 g/L; CrgA reverse label (TIFSW not labelled), [U-100% 13C], 2.0 g/L; CrgA reverse label (ILFYS not labelled), [U-100% 13C], 2.0 g/L
sample_conditions_1: pH: 8.0; pressure: 1 atm; temperature: 273 K
sample_conditions_2: pH: 8.0; temperature: 273 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D PISEMA | sample_1 | anisotropic | sample_conditions_1 |
| 2D 13C-13C DARR | sample_2 | isotropic | sample_conditions_2 |
| 3D NCACX,NCOCX,CAN(CO)CX | sample_2 | isotropic | sample_conditions_2 |
Software:
TOPSPIN v2.1, Bruker Biospin - collection, processing
SPARKY v3.114, Goddard - chemical shift assignment, data analysis
X-PLOR_NIH v2.34, Schwieters, Kuszewski, Tjandra and Clore - structure solution
NAMD v2.9, (NAMD) Phillips, Braun, Wang, Gumbart, Tajkhorshid, Villa, Chipot, Skeel, Kale and Schulten - refinement
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 600 MHz