BMRB Entry 27458
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27458
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Title: Backbone and Side-chain Chemical Shift Assignments for MarH PubMed: 30054867
Deposition date: 2018-04-20 Original release date: 2018-06-20
Authors: Liu, Bin; Hu, Kaifeng
Citation: Liu, Bin; Fang, Shiqi; Ma, Xiaofang; Bai, Zhiqiang; Hu, Kaifeng. "Backbone and side-chain chemical shift assignments of MarH, a critical intermediary epimerase for biosynthesis of Maremycins in Streptomyces" Biomol. NMR Assign. 12, 335-338 (2018).
Assembly members:
MarH, polymer, 126 residues, Formula weight is not available
Natural source: Common Name: Streptomyces Taxonomy ID: 1883 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptomyces not available
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28a
Entity Sequences (FASTA):
MarH: GSRPADPEIVEGLPIPLAVA
GHHQPAPFYLTADMFGGLPV
QLAGGELSTLVGKPVAAPHT
HPVDELYLLVSPNKGGARIE
VQLDGRRHELLSPAVMRIPA
GSEHCFLTLEAEVGSYCFGI
LLGDRL
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 489 |
| 15N chemical shifts | 116 |
| 1H chemical shifts | 786 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | MarH dimer, subunit 1 | 1 |
| 2 | MarH dimer, subunit 2 | 1 |
Entities:
Entity 1, MarH dimer, subunit 1 126 residues - Formula weight is not available
| 1 | GLY | SER | ARG | PRO | ALA | ASP | PRO | GLU | ILE | VAL | ||||
| 2 | GLU | GLY | LEU | PRO | ILE | PRO | LEU | ALA | VAL | ALA | ||||
| 3 | GLY | HIS | HIS | GLN | PRO | ALA | PRO | PHE | TYR | LEU | ||||
| 4 | THR | ALA | ASP | MET | PHE | GLY | GLY | LEU | PRO | VAL | ||||
| 5 | GLN | LEU | ALA | GLY | GLY | GLU | LEU | SER | THR | LEU | ||||
| 6 | VAL | GLY | LYS | PRO | VAL | ALA | ALA | PRO | HIS | THR | ||||
| 7 | HIS | PRO | VAL | ASP | GLU | LEU | TYR | LEU | LEU | VAL | ||||
| 8 | SER | PRO | ASN | LYS | GLY | GLY | ALA | ARG | ILE | GLU | ||||
| 9 | VAL | GLN | LEU | ASP | GLY | ARG | ARG | HIS | GLU | LEU | ||||
| 10 | LEU | SER | PRO | ALA | VAL | MET | ARG | ILE | PRO | ALA | ||||
| 11 | GLY | SER | GLU | HIS | CYS | PHE | LEU | THR | LEU | GLU | ||||
| 12 | ALA | GLU | VAL | GLY | SER | TYR | CYS | PHE | GLY | ILE | ||||
| 13 | LEU | LEU | GLY | ASP | ARG | LEU |
Samples:
sample_1: MarH, [U-99% 13C; U-99% 15N], 0.4 mM; Na2HPO4 50 mM; KH2PO4 50 mM
sample_conditions_1: ionic strength: 50 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D CCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
PINE, Bahrami, Markley, Assadi, and Eghbalnia - chemical shift assignment
SPARKY, Goddard - data analysis
NMR spectrometers:
- Bruker Avance 800 MHz
- Bruker Avance 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts