BMRB Entry 17625
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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/BMR17625
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Title: Microvirin:mannobiose complex PubMed: 21471192
Deposition date: 2011-05-04 Original release date: 2011-06-01
Authors: Hussan, S.; Bewley, Carole; Clore, G.; Gustchina, E.; Ghirlando, R.
Citation: Shahzad-Ul-Hussan, Syed; Gustchina, Elena; Ghirlando, Rodolfo; Clore, G. Marius; Bewley, Carole. "Solution Structure of the Monovalent Lectin Microvirin in Complex with Man{alpha}(1-2)Man Provides a Basis for Anti-HIV Activity with Low Toxicity." J. Biol. Chem. 286, 20788-20796 (2011).
Assembly members:
microvirin, polymer, 108 residues, 12157.0095 Da.
MAB, non-polymer, 342.296 Da.
Natural source: Common Name: cyanobacteria Taxonomy ID: 1126 Superkingdom: Bacteria Kingdom: not available Genus/species: Microcystis aeruginosa
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
microvirin: MPNFSHTCSSINYDPDSTIL
SAECQARDGEWLPTELRLSD
HIGNIDGELQFGDQNFQETC
QDCRLEFGDGEQSVWLVCTC
QTMDGEWKSTQILLDSQIDN
NDSQLEIG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 397 |
| 15N chemical shifts | 121 |
| 1H chemical shifts | 322 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | microvirin | 1 |
| 2 | mannobiose | 2 |
Entities:
Entity 1, microvirin 108 residues - 12157.0095 Da.
| 1 | MET | PRO | ASN | PHE | SER | HIS | THR | CYS | SER | SER | ||||
| 2 | ILE | ASN | TYR | ASP | PRO | ASP | SER | THR | ILE | LEU | ||||
| 3 | SER | ALA | GLU | CYS | GLN | ALA | ARG | ASP | GLY | GLU | ||||
| 4 | TRP | LEU | PRO | THR | GLU | LEU | ARG | LEU | SER | ASP | ||||
| 5 | HIS | ILE | GLY | ASN | ILE | ASP | GLY | GLU | LEU | GLN | ||||
| 6 | PHE | GLY | ASP | GLN | ASN | PHE | GLN | GLU | THR | CYS | ||||
| 7 | GLN | ASP | CYS | ARG | LEU | GLU | PHE | GLY | ASP | GLY | ||||
| 8 | GLU | GLN | SER | VAL | TRP | LEU | VAL | CYS | THR | CYS | ||||
| 9 | GLN | THR | MET | ASP | GLY | GLU | TRP | LYS | SER | THR | ||||
| 10 | GLN | ILE | LEU | LEU | ASP | SER | GLN | ILE | ASP | ASN | ||||
| 11 | ASN | ASP | SER | GLN | LEU | GLU | ILE | GLY |
Entity 2, mannobiose - C12 H22 O11 - 342.296 Da.
| 1 | MAB |
Samples:
sample_1: microvirin, [U-13C; U-15N], 1.5 mM; mannobiose, [U-13C; U-15N], 1.5 mM; H2O 10%; D2O 90%; NaPO4 20 mM; NaCl 50 mM
sample_conditions_1: ionic strength: 20.000 mM; pH: 6.800; pressure: 1.000 atm; temperature: 300.000 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| HSQC | sample_1 | solution | sample_conditions_1 |
| HNCACB | sample_1 | solution | sample_conditions_1 |
| HNCO | sample_1 | solution | sample_conditions_1 |
| NOESY | sample_1 | solution | sample_conditions_1 |
| HNHA | sample_1 | solution | sample_conditions_1 |
| HNCG | sample_1 | solution | sample_conditions_1 |
| HOHAHA | sample_1 | solution | sample_conditions_1 |
Software:
AutoDep v4.3, PDBe - collection
X-PLOR vany, Brunger - chemical shift assignment
X-PLOR NIH vany, BRUNGER - chemical shift assignment
NMR spectrometers:
- Bruker Avance 500 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts