BMRB Entry 17493
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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/BMR17493
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Title: Solution structure of the MoCVNH-LysM module from the rice blast fungus Magnaporthe oryzae protein (MGG_03307) PubMed: 21565701
Deposition date: 2011-02-26 Original release date: 2011-05-06
Authors: Koharudin, Leonardus; Viscomi, Arturo; Montanini, Barbara; Kershaw, Michael; Talbot, Nicholas; Ottonello, Simone; Gronenborn, Angela
Citation: Koharudin, Leonardus; Viscomi, Arturo; Montanini, Barbara; Kershaw, Michael; Talbot, Nicholas; Ottonello, Simone; Gronenborn, Angela. "Structure-Function Analysis of a CVNH-LysM Lectin Expressed during Plant Infection by the Rice Blast Fungus Magnaporthe oryzae." Structure 19, 662-674 (2011).
Assembly members:
entity, polymer, 167 residues, 18176.980 Da.
Natural source: Common Name: rice blast fungus Taxonomy ID: 318829 Superkingdom: Eukaryota Kingdom: Fungi Genus/species: Magnaporthe oryzae
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: GNYAGNFSGSSRDICLDGAR
LRAECRRGDGGYSTSVIDLN
RYLSNDNGHFRWVSGGGGGG
GTATVTVQQGDTLRDIGRRF
DCDFHEIARRNNIQNEDLIY
PGQVLQVPTKGGSGGGAGNF
WDSARDVRLVDGGKVLEAEL
RYSGGWNRSRIYLDEHIGNR
NGELIHC
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 407 |
| 15N chemical shifts | 168 |
| 1H chemical shifts | 774 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | MoCVNH-LysM | 1 |
Entities:
Entity 1, MoCVNH-LysM 167 residues - 18176.980 Da.
| 1 | GLY | ASN | TYR | ALA | GLY | ASN | PHE | SER | GLY | SER | ||||
| 2 | SER | ARG | ASP | ILE | CYS | LEU | ASP | GLY | ALA | ARG | ||||
| 3 | LEU | ARG | ALA | GLU | CYS | ARG | ARG | GLY | ASP | GLY | ||||
| 4 | GLY | TYR | SER | THR | SER | VAL | ILE | ASP | LEU | ASN | ||||
| 5 | ARG | TYR | LEU | SER | ASN | ASP | ASN | GLY | HIS | PHE | ||||
| 6 | ARG | TRP | VAL | SER | GLY | GLY | GLY | GLY | GLY | GLY | ||||
| 7 | GLY | THR | ALA | THR | VAL | THR | VAL | GLN | GLN | GLY | ||||
| 8 | ASP | THR | LEU | ARG | ASP | ILE | GLY | ARG | ARG | PHE | ||||
| 9 | ASP | CYS | ASP | PHE | HIS | GLU | ILE | ALA | ARG | ARG | ||||
| 10 | ASN | ASN | ILE | GLN | ASN | GLU | ASP | LEU | ILE | TYR | ||||
| 11 | PRO | GLY | GLN | VAL | LEU | GLN | VAL | PRO | THR | LYS | ||||
| 12 | GLY | GLY | SER | GLY | GLY | GLY | ALA | GLY | ASN | PHE | ||||
| 13 | TRP | ASP | SER | ALA | ARG | ASP | VAL | ARG | LEU | VAL | ||||
| 14 | ASP | GLY | GLY | LYS | VAL | LEU | GLU | ALA | GLU | LEU | ||||
| 15 | ARG | TYR | SER | GLY | GLY | TRP | ASN | ARG | SER | ARG | ||||
| 16 | ILE | TYR | LEU | ASP | GLU | HIS | ILE | GLY | ASN | ARG | ||||
| 17 | ASN | GLY | GLU | LEU | ILE | HIS | CYS |
Samples:
sample_1: MoCVNH-LysM, [U-100% 15N], 0.5 ± 0.01 mM; H2O 90%; D2O 10%; sodium acetate25 – 50 mM; NaCl 20 mM; NaN3 3 mM
sample_2: MoCVNH-LysM, [U-100% 13C; U-100% 15N], 0.5 ± 0.01 mM; H2O 90%; D2O 10%; sodium acetate25 – 50 mM; NaCl 20 mM; NaN3 3 mM
sample_conditions_1: ionic strength: 0.020 M; pH: 5.0; pressure: 1 atm; temperature: 298 K
sample_conditions_2: ionic strength: 0.020 M; pH: 5.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_2 | isotropic | sample_conditions_2 |
| 3D CBCA(CO)NH | sample_2 | isotropic | sample_conditions_2 |
| 3D H(CCO)NH | sample_2 | isotropic | sample_conditions_2 |
| 3D C(CO)NH | sample_2 | isotropic | sample_conditions_2 |
| 3D HCCH-TOCSY | sample_2 | isotropic | sample_conditions_2 |
| 3D 1H-15N NOESY | sample_2 | isotropic | sample_conditions_2 |
| 3D 1H-13C NOESY aliphatic | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v2.1, Bruker Biospin - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRView v5.2.2_01, Johnson, One Moon Scientific - data analysis
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - Automatic NOE assignment
CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation
NMR spectrometers:
- Bruker Avance 700 MHz
- Bruker Avance 800 MHz
- Bruker Avance 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts