BMRB Entry 7400
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR7400
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: Solution structure of rhodostomin P48A mutant
Deposition date: 2007-06-29 Original release date: 2009-10-12
Authors: Chuang, W.; Liu, Y.; Shiu, J.
Citation: Chuang, W.; Chen, C.; Shiu, J.; Liu, Y.; Hsieh, Y.; Chang, Y.; Chen, Y.; Lo, S.. "Dynamic Properties of the RGD Motif of Disintegrin Modulate its Recognition to Integrin a5b1" . ., .-..
Assembly members:
Rhodostoxin-disintegrin_rhodostomin, polymer, 68 residues, Formula weight is not available
Natural source: Common Name: Malayan pit viper Taxonomy ID: 8717 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Calloselasma rhodostoma
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
Rhodostoxin-disintegrin_rhodostomin: GKECDCSSPENPCCDAATCK
LRPGAQCGEGLCCEQCKFSR
AGKICRIARGDMPDDRCTGQ
SADCPRYH
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 67 |
| 1H chemical shifts | 372 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Rhodostoxin-disintegrin_rhodostomin | 1 |
Entities:
Entity 1, Rhodostoxin-disintegrin_rhodostomin 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 | ARG | GLY | ||||
| 6 | ASP | MET | PRO | ASP | ASP | ARG | CYS | THR | GLY | GLN | ||||
| 7 | SER | ALA | ASP | CYS | PRO | ARG | TYR | HIS |
Samples:
sample_1: Rhodostoxin-disintegrin_rhodostomin 2 mM; H2O 90%; D2O 10%
sample_2: Rhodostoxin-disintegrin_rhodostomin 2 mM; D2O 100%
sample_3: Rhodostoxin-disintegrin_rhodostomin, [U-15N], 2 mM; H2O 90%; D2O 10%
sample_4: Rhodostoxin-disintegrin_rhodostomin, [U-15N], 2 mM; D2O 100%
sample_conditions_1: pH: 6.0; pressure: 1 atm; temperature: 300 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | not available | isotropic | sample_conditions_1 |
| 2D TOCSY | not available | isotropic | sample_conditions_1 |
| 2D NOESY | not available | isotropic | sample_conditions_1 |
| 2D TOCSY | not available | isotropic | sample_conditions_1 |
| 3D_15N-separated_NOESY | not available | isotropic | sample_conditions_1 |
| 3D_15N-separated_TOCSY | not available | isotropic | sample_conditions_1 |
| HNHA | not available | isotropic | sample_conditions_1 |
| 2D HSQC | not available | isotropic | sample_conditions_1 |
Software:
xwinnmr v2.6, Bruker - collection
AURELIA v3.1.7, Bruker - data analysis
X-PLOR v3.185, Brunger - refinement
NMR spectrometers:
- Bruker AVANCE 600 MHz
Related Database Links:
| BMRB | 17963 19210 19211 19212 2856 5117 5949 7399 |
| PDB | |
| GB | AAA49196 AAA57568 |
| SP | P30403 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts