BMRB Entry 18816
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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/BMR18816
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Title: Solution structure of the tenth complement type repeat of human megalin PubMed: 23275343
Deposition date: 2012-11-01 Original release date: 2013-01-07
Authors: Dagil, Robert; Kragelund, Birthe
Citation: Dagil, Robert; Nykjaer, Charlotte; Bonvin, Anders; Kragelund, Alexandre M J J. "Gentamicin binds to the megalin receptor as a competitive inhibitor using the common ligand binding motif of complement type repeats: insight from the nmr structure of the 10th complement type repeat domain alone and in complex with gentamicin." J. Biol. Chem. 288, 4424-4435 (2013).
Assembly members:
CR10, polymer, 52 residues, 5045.292 Da.
CALCIUM ION, non-polymer, 40.078 Da.
Natural source: Common Name: Humans Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Pichia pastoris
Entity Sequences (FASTA):
CR10: THAPASCLDTQYTCDNHQCI
SKNWVCDTDNDCGDGSDEKN
CNSTETHHHHHH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 164 |
| 15N chemical shifts | 44 |
| 1H chemical shifts | 243 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CR10 | 1 |
| 2 | Calcium ion | 2 |
Entities:
Entity 1, CR10 52 residues - 5045.292 Da.
| 1 | THR | HIS | ALA | PRO | ALA | SER | CYS | LEU | ASP | THR | ||||
| 2 | GLN | TYR | THR | CYS | ASP | ASN | HIS | GLN | CYS | ILE | ||||
| 3 | SER | LYS | ASN | TRP | VAL | CYS | ASP | THR | ASP | ASN | ||||
| 4 | ASP | CYS | GLY | ASP | GLY | SER | ASP | GLU | LYS | ASN | ||||
| 5 | CYS | ASN | SER | THR | GLU | THR | HIS | HIS | HIS | HIS | ||||
| 6 | HIS | HIS |
Entity 2, Calcium ion - Ca - 40.078 Da.
| 1 | CA |
Samples:
sample_1: CR10, [U-100% 13C; U-100% 15N], 0.6 mM; sodium chloride 100 mM; calcium chloride 50 mM; TRIS 50 mM; DSS 0.1 mM; sodium azide 0.1%; H2O 90%; D2O 10%
sample_2: CR10, [U-100% 13C; U-100% 15N], 0.6 mM; calcium chloride 50 mM; sodium chloride 100 mM; TRIS 50 mM; DSS 0.1 mM; sodium azide 0.1%; D2O 100%
sample_conditions_1: ionic strength: 0.2 M; pH: 6.5; pressure: 1 atm; temperature: 273 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 |
| 2D 1H-1H TOCSY aromatic | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C NOESY aromatic | sample_2 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
Analysis v2.2, CCPN - chemical shift assignment, peak picking
ARIA, Linge, O, . - refinement, structure solution
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Varian INOVA 750 MHz
- Varian INOVA 800 MHz
- Bruker Avance 800 MHz
Related Database Links:
| PDB |
Download simulated HSQC data in one of the following formats:
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