BMRB Entry 5272
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5272
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Title: 1H, 13C and 15N chemical shift assignments of Schistocerca gregaria chymotrypsin inhibitor PubMed: 11856311
Deposition date: 2002-02-05 Original release date: 2011-08-10
Authors: Gaspari, Zoltan; Patthy, Andras; Graf, Laszlo; Patthy, Andras; Szenthe, Borbala; Nagy, Attila
Citation: Gaspari, Zoltan; Patthy, Andras; Graf, Laszlo; Patthy, Andras. "Comparative structure analysis of proteinase inhibitors from the desert locust, Schistocerca gregaria " Eur. J. Biochem. 269, 527-537 (2002).
Assembly members:
Schistocerca gregaria chymotrypsin inhibitor, polymer, 35 residues, Formula weight is not available
Natural source: Common Name: desert locust Taxonomy ID: 7010 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Schistocerca Gregaria
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Schistocerca gregaria chymotrypsin inhibitor: EVTCEPGTTFKDKCNTCRCG
SDGKSAACTLKACPQ
- assigned_chemical_shifts
- heteronucl_T1_relaxation
- heteronucl_T2_relaxation
- heteronucl_NOEs
| Data type | Count |
| 1H chemical shifts | 198 |
| 15N chemical shifts | 31 |
| T1 relaxation values | 30 |
| T2 relaxation values | 30 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | sgci | 1 |
Entities:
Entity 1, sgci 35 residues - Formula weight is not available
| 1 | GLU | VAL | THR | CYS | GLU | PRO | GLY | THR | THR | PHE | ||||
| 2 | LYS | ASP | LYS | CYS | ASN | THR | CYS | ARG | CYS | GLY | ||||
| 3 | SER | ASP | GLY | LYS | SER | ALA | ALA | CYS | THR | LEU | ||||
| 4 | LYS | ALA | CYS | PRO | GLN |
Samples:
sample_1: Schistocerca gregaria chymotrypsin inhibitor 2.5 mM
sample_2: Schistocerca gregaria chymotrypsin inhibitor, [U-15N], 1.5 mM
ex-cond_1: pH: 3.0; temperature: 300 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D COSY | not available | not available | not available |
| 2D TOCSY | not available | not available | not available |
| 2D NOESY | not available | not available | not available |
| 1H-15N HSQC | not available | not available | not available |
| 3D TOCSY-HSQC | not available | not available | not available |
| 3D NOESY-HSQC | not available | not available | not available |
| 15N T1 | not available | not available | not available |
| 15N T2 | not available | not available | not available |
| 1H,15N NOE | not available | not available | not available |
Software:
TRIAD (SYBYL) v6.6, Tripos, Inc. - peak assignment
XEASY v1.3.6, ETH Zurich - peak assignment
NMR spectrometers:
- Bruker DRX 500 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
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SPARKY: Backbone
or all simulated shifts