BMRB Entry 6242
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6242
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Title: 1H, 13C and 15N sequence-specific resonance assignments of the two-domain Thrombin inhibitor Dipetalin
Deposition date: 2004-06-21 Original release date: 2004-12-16
Authors: Ohlenschlaeger, Oliver
Citation: Carella, Michela; Ramachandran, Ramadurai; Schlott, Bernhard; Leppert, Joerg; Glusa, Erika; Ohlenschlaeger, Oliver. "Letter to the Editor: 1H, 13C and 15N sequence-specific resonance assignments of the two-domain thrombin inhibitor dipetalin" J. Biomol. NMR 30, 383-384 (2004).
Assembly members:
Dipetalin-I+II, polymer, 108 residues, 12011 Da.
Natural source: Common Name: Mexican bug Taxonomy ID: 72496 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Dipetalogaster maximus
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
Dipetalin-I+II: FQGNPCECPRALHRVCGSDG
NTYSNPCMLTCAKHEGNPDL
VQVHEGPCDEHDHDFEDTCQ
CDDTFQPVCGDDEITYRNLC
HLECATFTTSPGVEVKHEGE
CHPETKVN
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 362 |
| 15N chemical shifts | 97 |
| 1H chemical shifts | 581 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | DIPETALIN-I+II | 1 |
Entities:
Entity 1, DIPETALIN-I+II 108 residues - 12011 Da.
| 1 | PHE | GLN | GLY | ASN | PRO | CYS | GLU | CYS | PRO | ARG | ||||
| 2 | ALA | LEU | HIS | ARG | VAL | CYS | GLY | SER | ASP | GLY | ||||
| 3 | ASN | THR | TYR | SER | ASN | PRO | CYS | MET | LEU | THR | ||||
| 4 | CYS | ALA | LYS | HIS | GLU | GLY | ASN | PRO | ASP | LEU | ||||
| 5 | VAL | GLN | VAL | HIS | GLU | GLY | PRO | CYS | ASP | GLU | ||||
| 6 | HIS | ASP | HIS | ASP | PHE | GLU | ASP | THR | CYS | GLN | ||||
| 7 | CYS | ASP | ASP | THR | PHE | GLN | PRO | VAL | CYS | GLY | ||||
| 8 | ASP | ASP | GLU | ILE | THR | TYR | ARG | ASN | LEU | CYS | ||||
| 9 | HIS | LEU | GLU | CYS | ALA | THR | PHE | THR | THR | SER | ||||
| 10 | PRO | GLY | VAL | GLU | VAL | LYS | HIS | GLU | GLY | GLU | ||||
| 11 | CYS | HIS | PRO | GLU | THR | LYS | VAL | ASN |
Samples:
sample_1: Dipetalin-I+II, [U-15N], 1.1 mM
sample_2: Dipetalin-I+II, [U-13C; U-15N], 1.3 mM
Ex-cond_1: pH: 6.7; temperature: 288 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| experiment_1 | not available | not available | Ex-cond_1 |
Software:
No software information available
NMR spectrometers:
- Varian INOVA 600 MHz
- Varian INOVA 750 MHz
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CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts