BMRB Entry 15405
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR15405
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Title: The NMR Solution Structure of Recombinant RGD-hirudin PubMed: 17585879
Deposition date: 2007-07-25 Original release date: 2008-03-13
Authors: Song, Xia; Mo, Wei; Liu, Xingang; Yan, Xiaomin; Song, Houyan; Dai, Linsen
Citation: Song, Xia; Mo, Wei; Zhu, Lina; Liu, Xingang; Yan, Xiaomin; Song, Houyan; Dai, Linsen. "The NMR Solution Structure of Recombinant RGD-hirudin" Biochem. Biophys. Res. Commun. 360, 103-108 (2007).
Assembly members:
RGD-hirudin, polymer, 66 residues, 5323.929 Da.
Natural source: Common Name: Hirudo medicinalis Taxonomy ID: 6421 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Hirudo medicinalis
Experimental source: Production method: recombinant technology Host organism: Pichia pastoris
Entity Sequences (FASTA):
RGD-hirudin: VVYTDCTESGQNLCLCEGSN
VCGQGNKCILGRGDSKNQCV
TGEGTPKPQSHNQGDFEPIP
EDAYDE
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 410 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | RGD-hirudin | 1 |
Entities:
Entity 1, RGD-hirudin 66 residues - 5323.929 Da.
| 1 | VAL | VAL | TYR | THR | ASP | CYS | THR | GLU | SER | GLY | ||||
| 2 | GLN | ASN | LEU | CYS | LEU | CYS | GLU | GLY | SER | ASN | ||||
| 3 | VAL | CYS | GLY | GLN | GLY | ASN | LYS | CYS | ILE | LEU | ||||
| 4 | GLY | ARG | GLY | ASP | SER | LYS | ASN | GLN | CYS | VAL | ||||
| 5 | THR | GLY | GLU | GLY | THR | PRO | LYS | PRO | GLN | SER | ||||
| 6 | HIS | ASN | GLN | GLY | ASP | PHE | GLU | PRO | ILE | PRO | ||||
| 7 | GLU | ASP | ALA | TYR | ASP | GLU |
Samples:
sample_1: RGD-hirudin 5 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
ARIA v2.0, Linge, O, . - refinement
SPARKY v3.105, Goddard - peak picking
Molmol v2000, Koradi, Billeter and Wuthrich - data analysis
NMR spectrometers:
- Bruker DMX 500 MHz
Related Database Links:
| PDB |