BMRB Entry 5948
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5948
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Chuang, Woei-Jer; Chen, Chiu-Yueh; Shiu, Jia-Hau; Liu, Yu-Chen. "Structure Analysis of Integrin alpha IIb beta 3 - Specific Disintegrin with the
AKGDWN Motif" .
Assembly members:
Rhodostomin, polymer, 68 residues, Formula weight is not available
Natural source: Common Name: Calloselasma rhodostoma Taxonomy ID: 8717 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Calloselasma rhodostoma
Experimental source: Production method: recombinant technology Host organism: Pichia pastoris Vector: pPICZa
Entity Sequences (FASTA):
Rhodostomin: GKECDCSSPENPCCDAATCK
LRPGAQCGEGLCCEQCKFSR
AGKICRIAKGDWNDDRCTGQ
SADCPRYH
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 64 |
| 1H chemical shifts | 375 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Disintegrin kistrin | 1 |
Entities:
Entity 1, Disintegrin kistrin 68 residues - Formula weight is not available
| 1 | GLY | LYS | GLU | CYS | ASP | CYS | SER | SER | PRO | GLU | ||||
| 2 | ASN | PRO | CYS | CYS | ASP | ALA | ALA | THR | CYS | LYS | ||||
| 3 | LEU | ARG | PRO | GLY | ALA | GLN | CYS | GLY | GLU | GLY | ||||
| 4 | LEU | CYS | CYS | GLU | GLN | CYS | LYS | PHE | SER | ARG | ||||
| 5 | ALA | GLY | LYS | ILE | CYS | ARG | ILE | ALA | LYS | GLY | ||||
| 6 | ASP | TRP | ASN | ASP | ASP | ARG | CYS | THR | GLY | GLN | ||||
| 7 | SER | ALA | ASP | CYS | PRO | ARG | TYR | HIS |
Samples:
sample_1: Rhodostomin 3 mM; H2O 90%; D2O 10%
sample_2: Rhodostomin 3 mM; D2O 100%
sample_3: Rhodostomin, [U-15N], 2.5 mM; H2O 90%; D2O 10%
sample_cond_1: ionic strength: 0 M; pH: 6.0; pressure: 1 atm; temperature: 300 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | not available | not available | not available |
| 2D TOCSY | not available | not available | not available |
| 3D 15N-separated NOESY | not available | not available | not available |
| 3D 15N-separated TOCSY | not available | not available | not available |
| HNHA | not available | not available | not available |
| 15N-HSQC | not available | not available | not available |
Software:
xwinnmr v2.6 - processing
AURELIA v2.7.10 - data analysis
X-PLOR v3.85 - refinement
NMR spectrometers:
- Bruker AVANCE 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks