BMRB Entry 16339
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16339
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Title: NMR structures of a designed Cyanovirin-N homolog lectin; LKAMG PubMed: 19639634
Deposition date: 2009-06-08 Original release date: 2009-11-16
Authors: Koharudin, Leonardus; Gronenborn, Angela
Citation: Koharudin, Leonardus; Furey, William; Gronenborn, Angela. "A designed chimeric cyanovirin-N homolog lectin: structure and molecular basis of sucrose binding." Proteins 77, 904-915 (2009).
Assembly members:
LKAMG, polymer, 107 residues, 12104.285 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
LKAMG: MSYADSSRNAVLTNGGRTLR
AECRNADGNWVTSELDLDTI
IGNNDGHFQWGGQNFTETAE
DIRFHPKEGAAEQPILRARL
RDCNGEFHDRDVNLNRIQNV
NGRLVFQ
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 301 |
| 15N chemical shifts | 121 |
| 1H chemical shifts | 658 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | LKAMG | 1 |
Entities:
Entity 1, LKAMG 107 residues - 12104.285 Da.
a triplet (GSH) artifact cloning is not included in the protein sequence and structure calculation.
| 1 | MET | SER | TYR | ALA | ASP | SER | SER | ARG | ASN | ALA | ||||
| 2 | VAL | LEU | THR | ASN | GLY | GLY | ARG | THR | LEU | ARG | ||||
| 3 | ALA | GLU | CYS | ARG | ASN | ALA | ASP | GLY | ASN | TRP | ||||
| 4 | VAL | THR | SER | GLU | LEU | ASP | LEU | ASP | THR | ILE | ||||
| 5 | ILE | GLY | ASN | ASN | ASP | GLY | HIS | PHE | GLN | TRP | ||||
| 6 | GLY | GLY | GLN | ASN | PHE | THR | GLU | THR | ALA | GLU | ||||
| 7 | ASP | ILE | ARG | PHE | HIS | PRO | LYS | GLU | GLY | ALA | ||||
| 8 | ALA | GLU | GLN | PRO | ILE | LEU | ARG | ALA | ARG | LEU | ||||
| 9 | ARG | ASP | CYS | ASN | GLY | GLU | PHE | HIS | ASP | ARG | ||||
| 10 | ASP | VAL | ASN | LEU | ASN | ARG | ILE | GLN | ASN | VAL | ||||
| 11 | ASN | GLY | ARG | LEU | VAL | PHE | GLN |
Samples:
sample_1: LKAMG, [U-100% 15N], 0.5 mM; sodium phosphate 20 mM; sodium azide 0.02%
sample_2: LKAMG, [U-100% 13C; U-100% 15N], 1.2 mM; sodium phosphate 20 mM; sodium azide 0.02%
sample_conditions_1: ionic strength: 20 mM; pH: 6.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 15N-1H HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCANH | sample_2 | isotropic | sample_conditions_1 |
| 3D CBCA(co)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 3D H(c)CH-NH TOCSY | sample_2 | isotropic | sample_conditions_1 |
| (h)CCH-NH TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 3D HBHA(co)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D simultaneous 15N/13C NOESY-HSQC | sample_2 | isotropic | sample_conditions_1 |
Software:
CNS v1.1, Brunger A. T. et.al. - refinement
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - Automatic NOE calibration
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
TALOS, Cornilescu, Delaglio and Bax - data analysis
NMR spectrometers:
- Bruker Avance 700 MHz
- Bruker Avance 800 MHz
- Bruker Avance 600 MHz
Related Database Links:
| PDB |
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